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Fmoc-L-lysine |
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ID: API-28827 CAS:105047-45-8 Supplier:APIchem SMILES:C(=O)([C@H](CCCCN)NC(=O)OCC1c2ccccc2c2ccccc12)O ChemMol.com FORMULA: C21H24N2O4
MASS: 368.4263
EXACT MASS: 368.1736073
INTERATOMIC DISTANCES
C 1 C 2 C 3 C 4 C 5 C 6
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C 1 0.0000
C 2 1.5230 0.0000
C 3 2.6379 1.5230 0.0000
C 4 3.0460 2.6379 1.5230 0.0000
C 5 4.5690 4.0295 2.6379 1.5230 0.0000
C 6 5.4912 5.2758 4.0294 2.6379 1.5230 0.0000
O 7 1.5230 2.6379 4.0295 4.5690 6.0921 6.9793
O 8 1.5230 2.6379 3.0460 2.6379 4.0295 4.5689
N 9 6.9793 6.6386 5.2758 4.0295 2.6379 1.5230
N 10 2.6379 1.5230 2.6380 4.0295 5.2759 6.6386
C 11 3.0460 2.6379 4.0295 5.2758 6.6386 7.9137
O 12 2.6379 3.0460 4.5690 5.4912 6.9793 8.0589
O 13 4.5690 4.0295 5.2759 6.6386 7.9138 9.2641
C 14 5.4912 5.2758 6.6386 7.9137 9.2641 10.5516
C 15 6.9793 6.6386 7.9138 9.2641 10.5517 11.8950
C 16 7.7492 7.1272 8.2139 9.6638 10.8175 12.2432
C 17 7.5633 6.6711 7.5340 9.0398 10.0466 11.5261
C 18 8.8997 7.8799 8.5666 10.0891 10.9564 12.4661
C 19 10.2007 9.2724 10.0358 11.5557 12.4593 13.9645
C 20 10.3393 9.6058 10.5558 12.0501 13.0888 14.5621
C 21 9.2140 8.6418 9.7365 11.1862 12.3373 13.7659
C 22 9.4295 9.0948 10.3369 11.7126 12.9722 14.3377
C 23 10.7840 10.5385 11.8155 13.1676 14.4531 15.7997
C 24 11.0140 10.9766 12.3483 13.6124 14.9750 16.2488
C 25 9.9470 10.0781 11.5151 12.6886 14.1064 15.3086
C 26 8.4595 8.5570 9.9920 11.1713 12.5847 13.7945
C 27 8.1578 7.9874 9.3257 10.6249 11.9591 13.2627
O 7 O 8 N 9 N 10 C 11 O 12
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O 7 0.0000
O 8 2.6380 0.0000
N 9 8.4798 6.0920 0.0000
N 10 3.0460 4.0295 7.9138 0.0000
C 11 2.6379 4.5690 9.2641 1.5230 0.0000
O 12 1.5230 4.0295 9.5111 2.6379 1.5230 0.0000
O 13 4.0295 6.0921 10.5517 2.6379 1.5230 2.6379
C 14 4.5689 6.9793 11.8950 4.0294 2.6379 3.0460
C 15 6.0920 8.4798 13.1896 5.2758 4.0295 4.5690
C 16 7.0949 9.2721 13.4345 5.6421 4.7035 5.6014
C 17 7.2045 9.0643 12.6105 5.1482 4.6050 5.8229
C 18 8.6528 10.3736 13.4393 6.3754 6.0260 7.3092
C 19 9.8118 11.6992 14.9555 7.7536 7.2344 8.3913
C 20 9.7317 11.8610 15.6565 8.0900 7.2976 8.2392
C 21 8.4699 10.7347 14.9511 7.1628 6.1764 6.9545
C 22 8.4699 10.9202 15.6084 7.7033 6.4935 6.9545
C 23 9.7317 12.2506 17.0908 9.1780 7.9151 8.2392
C 24 9.8119 12.4148 17.6050 9.7276 8.3422 8.3914
C 25 8.6528 11.2849 16.7123 8.9510 7.4867 7.3093
C 26 7.2044 9.8245 15.1929 7.4312 5.9636 5.8228
C 27 7.0949 9.6163 14.5941 6.6958 5.3501 5.6014
O 13 C 14 C 15 C 16 C 17 C 18
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O 13 0.0000
C 14 1.5230 0.0000
C 15 2.6379 1.5230 0.0000
C 16 3.1808 2.7140 1.5229 0.0000
C 17 3.1883 3.4388 2.7827 1.5231 0.0000
C 18 4.6717 4.9446 4.1134 2.6380 1.5229 0.0000
C 19 5.7825 5.7109 4.5468 3.0461 2.6379 1.5230
C 20 5.7784 5.3062 3.9050 2.6379 3.0460 2.6379
C 21 4.6616 3.9409 2.4643 1.5230 2.6379 3.0460
C 22 5.0742 3.9409 2.4642 2.4642 3.9051 4.5468
C 23 6.5409 5.3062 3.9050 3.9666 5.3539 5.7968
C 24 7.1198 5.7110 4.5468 5.0395 6.5242 7.1594
C 25 6.4468 4.9447 4.1134 5.0394 6.5612 7.4819
C 26 4.9522 3.4387 2.7826 3.9665 5.4437 6.5611
C 27 4.0765 2.7140 1.5230 2.4642 3.9667 5.0395
C 19 C 20 C 21 C 22 C 23 C 24
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C 19 0.0000
C 20 1.5230 0.0000
C 21 2.6380 1.5230 0.0000
C 22 4.1135 2.7827 1.5230 0.0000
C 23 5.0608 3.5612 2.7826 1.5230 0.0000
C 24 6.5407 5.0609 4.1134 2.6379 1.5231 0.0000
C 25 7.1594 5.7969 4.5468 3.0460 2.6379 1.5230
C 26 6.5241 5.3539 3.9050 2.6379 3.0460 2.6380
C 27 5.0395 3.9667 2.4643 1.5230 2.6379 3.0461
C 25 C 26 C 27
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C 25 0.0000
C 26 1.5231 0.0000
C 27 2.6379 1.5229 0.0000
ATOMIC CHARGES
C 1 0.3843179625
C 2 0.2011344527
C 3 0.0334539048
C 4 0.0038799766
C 5 0.0205720317
C 6 0.1093073233
O 7 -0.2437477347
O 8 -0.2437477347
N 9 -0.1313873305
N 10 -0.1589008191
C 11 0.4216000960
O 12 -0.2245503637
O 13 -0.4328168839
C 14 0.2187328293
C 15 0.0883906209
C 16 -0.0148013613
C 17 -0.0038379889
C 18 -0.0003110332
C 19 -0.0000197602
C 20 -0.0003110332
C 21 -0.0038379889
C 22 -0.0038379889
C 23 -0.0003110332
C 24 -0.0000197602
C 25 -0.0003110332
C 26 -0.0038379889
C 27 -0.0148013613
BOND ANGLES
7 1 2 O.co2 Cac C3 119.999
1 2 3 Cac C3 C3 119.999
1 2 10 Cac C3 Nam 119.999
8 1 2 O.co2 Cac C3 119.999
1 2 3 Cac C3 C3 119.999
1 2 10 Cac C3 Nam 119.999
10 2 3 Nam C3 C3 120.002
2 3 4 C3 C3 C3 120.000
2 1 7 C3 Cac O.co2 119.999
8 1 7 O.co2 Cac O.co2 120.002
2 1 8 C3 Cac O.co2 119.999
7 1 8 O.co2 Cac O.co2 120.002
13 11 12 O3 C2 O2 119.999
27 15 16 Car C3 Car 108.001
15 16 17 C3 Car Car 132.002
15 16 21 C3 Car Car 108.002
21 16 17 Car Car Car 119.996
16 17 18 Car Car Car 120.002
17 16 21 Car Car Car 119.996
16 21 22 Car Car Car 107.997
27 22 23 Car Car Car 120.002
22 23 24 Car Car Car 120.000
23 22 27 Car Car Car 120.002
16 15 27 Car C3 Car 108.001
12 11 13 O2 C2 O3 119.999
11 13 14 C2 O3 C3 120.000
3 2 10 C3 C3 Nam 120.002
2 10 11 C3 Nam C2 120.000
TORSION ANGLES
7 1 2 3 179.974
7 1 2 10 0.026
8 1 2 3 0.026
8 1 2 10 179.974
1 2 3 4 0.026
10 2 3 4 179.974
2 3 4 5 179.974
3 4 5 6 179.974
4 5 6 9 179.974
11 13 14 15 179.974
27 15 16 17 179.974
27 15 16 21 0.026
14 15 16 17 0.026
14 15 16 21 179.974
15 16 17 18 179.974
21 16 17 18 0.026
16 17 18 19 0.026
17 18 19 20 0.026
18 19 20 21 0.026
19 20 21 16 0.026
19 20 21 22 179.974
15 16 21 20 179.974
15 16 21 22 0.026
17 16 21 20 0.026
17 16 21 22 179.974
20 21 22 23 0.026
20 21 22 27 179.974
16 21 22 23 179.974
16 21 22 27 0.026
21 22 23 24 179.974
27 22 23 24 0.026
22 23 24 25 0.026
23 24 25 26 0.026
24 25 26 27 0.026
25 26 27 22 0.026
25 26 27 15 179.974
21 22 27 26 179.974
21 22 27 15 0.026
23 22 27 26 0.026
23 22 27 15 179.974
16 15 27 26 179.974
16 15 27 22 0.026
14 15 27 26 0.026
14 15 27 22 179.974
13 14 15 16 0.026
13 14 15 27 179.974
12 11 13 14 0.026
10 11 13 14 179.974
2 10 11 12 0.026
2 10 11 13 179.974
1 2 10 11 0.026
3 2 10 11 179.974
CHIRAL ATOMS
C 2 is chiral: counterclockwise
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