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(3S)-(-)-3-(TERT-BUTOXYCARBONYLAMINO)PYRROLIDINE
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ID: BP-10483
CAS:122536-76-9 Supplier:BroadPharm SMILES:C(=O)(N[C@H]1CCNC1)OC(C)(C)C FORMULA: C9H18N2O2
MASS: 186.2514
EXACT MASS: 186.1368278
INTERATOMIC DISTANCES
C 1 N 2 O 3 O 4 N 5 C 6
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C 1 0.0000
N 2 1.4470 0.0000
O 3 1.4399 2.4667 0.0000
O 4 1.3875 2.4699 2.4657 0.0000
N 5 3.7887 3.4785 5.2261 3.1916 0.0000
C 6 2.4421 3.7468 1.4042 2.8292 5.9648 0.0000
C 7 2.4129 1.3720 3.7099 2.8041 2.3371 4.8542
C 8 3.9000 2.7661 5.1837 4.1395 2.3413 6.3418
C 9 4.5247 3.7466 5.9355 4.3001 1.4458 6.8959
C 10 2.3344 2.1727 3.7733 1.9349 1.4560 4.5786
C 11 3.7838 4.9377 2.4712 4.2941 7.4159 1.4649
C 12 2.5106 3.9574 2.2798 2.1170 5.2725 1.4291
C 13 3.1084 4.5486 2.5906 2.8310 5.9860 1.3845
C 7 C 8 C 9 C 10 C 11 C 12
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C 7 0.0000
C 8 1.4881 0.0000
C 9 2.3802 1.4640 0.0000
C 10 1.4325 2.3621 2.3688 0.0000
C 11 6.1583 7.6411 8.2970 6.0120 0.0000
C 12 4.7382 6.1663 6.4170 4.0502 2.6634 0.0000
C 13 5.4076 6.8513 7.1302 4.7625 2.2542 0.7152
C 13
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C 13 0.0000
ATOMIC CHARGES
C 1 0.4208923630
N 2 -0.1689683229
O 3 -0.4407972642
O 4 -0.2245672917
N 5 -0.2161789107
C 6 0.1378771144
C 7 0.1174721209
C 8 0.0420526172
C 9 0.0905789563
C 10 0.1104120801
C 11 0.0437421792
C 12 0.0437421792
C 13 0.0437421792
BOND ANGLES
5 9 8 N3 C3 C3 107.147
9 8 7 C3 C3 C3 107.462
8 9 5 C3 C3 N3 107.147
9 5 10 C3 N3 C3 109.439
TORSION ANGLES
7 2 1 3 179.974
7 2 1 4 0.026
6 3 1 2 179.974
6 3 1 4 0.026
9 5 10 7 0.026
11 6 3 1 179.974
12 6 3 1 0.026
13 6 3 1 0.026
8 7 2 1 179.974
10 7 2 1 0.026
9 8 7 2 179.974
9 8 7 10 0.026
5 9 8 7 0.026
5 10 7 2 179.974
5 10 7 8 0.026
8 9 5 10 0.026
CHIRAL ATOMS
C 6 is chiral: counterclockwise
C 7 is chiral: clockwise
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