tert-butyl (2R)-5,5-dimethyl-2-[(3R)-1-methyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-5-yl]azepane-1-carboxylate

Systemtic Name: tert-butyl (2R)-5,5-dimethyl-2-[(3R)-1-methyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-5-yl]azepane-1-carboxylate Openeye Name: tert-butyl (2R)-2-[(3R)-3-(benzyloxycarbonylamino)-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]-5,5-dimethyl-azepane-1-carboxylate CAS Name: (2R)-5,5-dimethyl-2-[(3R)-1-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-5-yl]-1-azepanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-5,5-dimethyl-2-[(3R)-1-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-5-yl]azepane-1-carboxylate Traditional Name: (2R)-2-[(3R)-3-(benzyloxycarbonylamino)-2-keto-1-methyl-3H-1,4-benzodiazepin-5-yl]-5,5-dimethyl-azepane-1-carboxylic acid tert-butyl ester Formula: C31H40N4O5 MolecularWeight: 548.6731

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(N(CC1)C(=O)OC(C)(C)C)C2=NC(C(=O)N(C3=CC=CC=C32)C)NC(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1(CC[C@@H](N(CC1)C(=O)OC(C)(C)C)C2=N[C@H](C(=O)N(C3=CC=CC=C32)C)NC(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C31H40N4O5/c1-30(2,3)40-29(38)35-19-18-31(4,5)17-16-24(35)25-22-14-10-11-15-23(22)34(6)27(36)26(32-25)33-28(37)39-20-21-12-8-7-9-13-21/h7-15,24,26H,16-20H2,1-6H3,(H,33,37)/t24-,26+/m1/s1