methyl (2S)-1-[2-[2-oxidanylidene-5-phenyl-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[2-[2-oxidanylidene-5-phenyl-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[2-[3-(benzyloxycarbonylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[1-oxo-2-[2-oxo-5-phenyl-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]ethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[2-[2-oxo-5-phenyl-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2-[3-(benzyloxycarbonylamino)-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C31H30N4O6 MolecularWeight: 554.5931

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)OCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)[C@@H]1CCCN1C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)OCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H30N4O6/c1-40-30(38)25-17-10-18-34(25)26(36)19-35-24-16-9-8-15-23(24)27(22-13-6-3-7-14-22)32-28(29(35)37)33-31(39)41-20-21-11-4-2-5-12-21/h2-9,11-16,25,28H,10,17-20H2,1H3,(H,33,39)/t25-,28?/m0/s1