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Fmoc-N-methyl-D-leucine
Fmoc-N-methyl-D-leucine ID: API-28957
CAS:103478-63-3
Supplier:APIchem

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SMILES:CC(C)C[C@@H](N(C)C(=O)OCC1c2ccccc2c2ccccc12)C(=O)O	ChemMol.com
FORMULA: C22H25NO4
MASS: 367.4382
EXACT MASS: 367.1783583
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      N   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8249     0.0000 
   C   3    1.4289     0.8250     0.0000 
   C   4    1.4289     0.8250     1.4290     0.0000 
   C   5    2.1827     1.4290     1.6501     0.8250     0.0000 
   N   6    2.8579     2.1828     2.4751     1.4290     0.8250     0.0000 
   C   7    2.9746     2.4751     2.9746     1.6501     1.4290     0.8250 
   C   8    3.5960     2.8579     2.9746     2.1827     1.4289     0.8249 
   O   9    3.7806     2.9746     2.8579     2.4750     1.6500     1.4289 
   O  10    4.2868     3.5961     3.7807     2.8579     2.1827     1.4289 
   C  11    5.0183     4.2869     4.3656     3.5961     2.8579     2.1827 
   C  12    5.7157     5.0183     5.1521     4.2868     3.5960     2.8578 
   C  13    6.4781     5.7555     5.8252     5.0517     4.3267     3.6271 
   C  14    6.8171     6.0515     6.0111     5.4127     4.6353     4.0255 
   C  15    7.6413     6.8734     6.8171     6.2376     5.4592     4.8486 
   C  16    8.1118     7.3738     7.3902     6.6890     5.9460     5.2694 
   C  17    7.8291     7.1329     7.2398     6.4004     5.7086     4.9716 
   C  18    7.0269     6.3446     6.4864     5.5994     4.9266     4.1727 
   C  19    6.6829     6.0595     6.3020     5.2741     4.6812     3.8800 
   C  20    7.0901     6.5275     6.8484     5.7180     5.2034     4.3823 
   C  21    6.7491     6.2597     6.6700     5.4364     5.0228     4.2001 
   C  22    5.9350     5.4653     5.9068     4.6405     4.2685     3.4536 
   C  23    5.4421     4.8968     5.2636     4.0810     3.6136     2.7887 
   C  24    5.8597     5.2349     5.4880     4.4494     3.8608     3.0563 
   C  25    2.4750     1.6501     1.4290     1.4290     0.8250     1.4290 
   O  26    3.3000     2.4751     2.1828     2.1828     1.4290     1.6500 
   O  27    2.1827     1.4290     0.8250     1.6500     1.4290     2.1828 

              C   7      C   8      O   9      O  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.4289     0.0000 
   O   9    2.1827     0.8250     0.0000 
   O  10    1.6500     0.8250     1.4290     0.0000 
   C  11    2.4750     1.4290     1.6501     0.8250     0.0000 
   C  12    2.9745     2.1827     2.4750     1.4289     0.8249     0.0000 
   C  13    3.7934     2.8981     3.0342     2.2083     1.4701     0.8250 
   C  14    4.3282     3.2306     3.1543     2.6827     1.8628     1.5074 
   C  15    5.1304     4.0554     3.9594     3.4922     2.6784     2.2282 
   C  16    5.4376     4.5189     4.5456     3.8568     3.0936     2.4631 
   C  17    5.0222     4.2876     4.4631     3.5432     2.8743     2.1154 
   C  18    4.1993     3.5174     3.7672     2.7486     2.1347     1.3349 
   C  19    3.7547     3.3457     3.7672     2.5251     2.1347     1.3349 
   C  20    4.1175     3.9531     4.4631     3.1301     2.8743     2.1153 
   C  21    3.7919     3.9189     4.5455     3.1324     3.0935     2.4629 
   C  22    2.9913     3.2643     3.9594     2.5306     2.6785     2.2282 
   C  23    2.4682     2.4944     3.1541     1.7270     1.8627     1.5073 
   C  24    2.9441     2.5479     3.0342     1.7230     1.4701     0.8249 
   C  25    2.1828     1.6500     1.4289     2.4750     2.9746     3.7806 
   O  26    2.4750     1.4289     0.8249     2.1827     2.4750     3.2999 
   O  27    2.8579     2.4750     2.1827     3.3000     3.7807     4.5934 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    0.8250     0.0000 
   C  15    1.4289     0.8249     0.0000 
   C  16    1.6501     1.4289     0.8250     0.0000 
   C  17    1.4289     1.6500     1.4289     0.8251     0.0000 
   C  18    0.8250     1.4289     1.6500     1.4290     0.8250     0.0000 
   C  19    1.3349     2.1154     2.4629     2.2283     1.5074     0.8250 
   C  20    2.1487     2.9002     3.1400     2.7415     1.9290     1.5074 
   C  21    2.7298     3.5341     3.8781     3.5431     2.7414     2.2282 
   C  22    2.7299     3.5542     4.0529     3.8782     3.1401     2.4629 
   C  23    2.1487     2.9488     3.5541     3.5341     2.9002     2.1153 
   C  24    1.3348     2.1487     2.7297     2.7299     2.1486     1.3348 
   C  25    4.4190     4.5825     5.3882     5.9662     5.8416     5.1078 
   O  26    3.8433     3.9026     4.6871     5.3150     5.2716     4.5880 
   O  27    5.2091     5.3219     6.1129     6.7250     6.6360     5.9153 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    0.8250     0.0000 
   C  21    1.4289     0.8250     0.0000 
   C  22    1.6500     1.4289     0.8250     0.0000 
   C  23    1.4289     1.6501     1.4290     0.8251     0.0000 
   C  24    0.8249     1.4290     1.6501     1.4290     0.8250     0.0000 
   C  25    4.9911     5.6007     5.5257     4.8209     4.0969     4.1977 
   O  26    4.5880     5.2716     5.3150     4.6872     3.9025     3.8433 
   O  27    5.8149     6.4250     6.3374     5.6193     4.9100     5.0226 

              C  25      O  26      O  27
              ---------------------------------
   C  25    0.0000 
   O  26    0.8250     0.0000 
   O  27    0.8250     1.4290     0.0000 



ATOMIC CHARGES
   C   1    0.0000701508
   C   2    0.0022176376
   C   3    0.0000701508
   C   4    0.0315554713
   C   5    0.1815703940
   N   6   -0.2353688051
   C   7    0.1188038860
   C   8    0.4053200740
   O   9   -0.2261822844
   O  10   -0.4338090242
   C  11    0.2186843042
   C  12    0.0883899396
   C  13   -0.0148013641
   C  14   -0.0038379889
   C  15   -0.0003110332
   C  16   -0.0000197602
   C  17   -0.0003110332
   C  18   -0.0038379889
   C  19   -0.0038379889
   C  20   -0.0003110332
   C  21   -0.0000197602
   C  22   -0.0003110332
   C  23   -0.0038379889
   C  24   -0.0148013641
   C  25    0.3825472419
   O  26   -0.2438153998
   O  27   -0.2438153998


BOND ANGLES
   1    2    3   C3   C3   C3    120.002
   1    2    4   C3   C3   C3    119.999
   3    2    4   C3   C3   C3    119.999
   2    4    5   C3   C3   C3    120.002
   4    5    6   C3   C3  Nam    120.002
   4    5   25   C3   C3  Cac    119.999
   6    5   25  Nam   C3  Cac    119.999
   5    6    7   C3  Nam   C3    119.999
   5    6    8   C3  Nam   C2    119.999
   7    6    8   C3  Nam   C2    120.002
   6    8    9  Nam   C2   O2    120.002
   6    8   10  Nam   C2   O3    119.999
   9    8   10   O2   C2   O3    119.999
   8   10   11   C2   O3   C3    120.002
  10   11   12   O3   C3   C3    119.999
  11   12   13   C3   C3  Car    125.996
  11   12   24   C3   C3  Car    126.007
  13   12   24  Car   C3  Car    107.997
  12   13   14   C3  Car  Car    132.006
  12   13   18   C3  Car  Car    107.996
  14   13   18  Car  Car  Car    119.997
  13   14   15  Car  Car  Car    120.004
  14   15   16  Car  Car  Car    120.009
  15   16   17  Car  Car  Car    119.990
  16   17   18  Car  Car  Car    120.000
  13   18   17  Car  Car  Car    120.000
  17   18   19  Car  Car  Car    131.997
  13   18   19  Car  Car  Car    108.003
  18   19   20  Car  Car  Car    131.997
  18   19   24  Car  Car  Car    107.993
  20   19   24  Car  Car  Car    120.010
  19   20   21  Car  Car  Car    119.997
  20   21   22  Car  Car  Car    120.000
  21   22   23  Car  Car  Car    120.000
  22   23   24  Car  Car  Car    119.994
  12   24   23   C3  Car  Car    131.992
  19   24   23  Car  Car  Car    119.997
  12   24   19   C3  Car  Car    108.011
   5   25   26   C3  Cac O.co2    119.999
   5   25   27   C3  Cac O.co2    119.999
  26   25   27 O.co2  Cac O.co2    120.002


TORSION ANGLES
   1    2    4    5    179.974
   3    2    4    5      0.026
   2    4    5    6    179.974
   2    4    5   25      0.026
   4    5    6    7      0.026
   4    5    6    8    179.974
  25    5    6    7    179.974
  25    5    6    8      0.026
   5    6    8    9      0.026
   5    6    8   10    179.974
   7    6    8    9    179.974
   7    6    8   10      0.026
   6    8   10   11    179.974
   9    8   10   11      0.026
   8   10   11   12    179.974
  10   11   12   13    179.974
  10   11   12   24      0.026
  11   12   13   14      0.026
  11   12   13   18    179.974
  24   12   13   14    179.974
  24   12   13   18      0.026
  12   13   14   15    179.974
  18   13   14   15      0.026
  13   14   15   16      0.026
  14   15   16   17      0.026
  15   16   17   18      0.026
  16   17   18   13      0.026
  16   17   18   19    179.974
  12   13   18   17    179.974
  12   13   18   19      0.026
  14   13   18   17      0.026
  14   13   18   19    179.974
  17   18   19   20      0.026
  17   18   19   24    179.974
  13   18   19   20    179.974
  13   18   19   24      0.026
  18   19   20   21    179.974
  24   19   20   21      0.026
  19   20   21   22      0.026
  20   21   22   23      0.026
  21   22   23   24      0.026
  22   23   24   12    179.974
  22   23   24   19      0.026
  11   12   24   23      0.026
  11   12   24   19    179.974
  13   12   24   23    179.974
  13   12   24   19      0.026
  18   19   24   23    179.974
  18   19   24   12      0.026
  20   19   24   23      0.026
  20   19   24   12    179.974
   4    5   25   26    179.974
   4    5   25   27      0.026
   6    5   25   26      0.026
   6    5   25   27    179.974


CHIRAL ATOMS
   6    5   25   27    179.974