[(2S)-2-oxidanyl-3-[2-oxidanylidene-5-phenyl-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]propyl] 3-nitrobenzenesulfonate

Systemtic Name: [(2S)-2-oxidanyl-3-[2-oxidanylidene-5-phenyl-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]propyl] 3-nitrobenzenesulfonate Openeye Name: [(2S)-3-[3-(benzyloxycarbonylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-2-hydroxy-propyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [(2S)-2-hydroxy-3-[2-oxo-5-phenyl-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]propyl] ester IUPAC Name: [(2S)-2-hydroxy-3-[2-oxo-5-phenyl-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]propyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [(2S)-3-[3-(benzyloxycarbonylamino)-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl]-2-hydroxy-propyl] ester Formula: C32H28N4O9S MolecularWeight: 644.65112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC(COS(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C[C@@H](COS(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-])O

InChI

InChI=1S/C32H28N4O9S/c37-25(21-45-46(42,43)26-15-9-14-24(18-26)36(40)41)19-35-28-17-8-7-16-27(28)29(23-12-5-2-6-13-23)33-30(31(35)38)34-32(39)44-20-22-10-3-1-4-11-22/h1-18,25,30,37H,19-21H2,(H,34,39)/t25-,30?/m0/s1