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

Systemtic Name: methyl (2S)-1-[2-(3-azanyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[2-(3-amino-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[2-(3-amino-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-1-oxoethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[2-(3-amino-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2-(3-amino-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C23H24N4O4 MolecularWeight: 420.46106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O4/c1-31-23(30)18-12-7-13-26(18)19(28)14-27-17-11-6-5-10-16(17)20(25-21(24)22(27)29)15-8-3-2-4-9-15/h2-6,8-11,18,21H,7,12-14,24H2,1H3/t18-,21?/m0/s1