(2R,3S)-N-(7-chloranyl-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-4-cyclohexyloxy-3-oxidanyl-2-(phenylmethyl)butanamide

Systemtic Name: (2R,3S)-N-(7-chloranyl-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-4-cyclohexyloxy-3-oxidanyl-2-(phenylmethyl)butanamide Openeye Name: (2R,3S)-2-benzyl-N-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-4-(cyclohexoxy)-3-hydroxy-butanamide CAS Name: (2R,3S)-N-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-4-cyclohexyloxy-3-hydroxy-2-(phenylmethyl)butanamide IUPAC Name: (2R,3S)-2-benzyl-N-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-4-cyclohexyloxy-3-hydroxybutanamide Traditional Name: (2R,3S)-2-benzyl-N-(7-chloro-2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)-4-(cyclohexoxy)-3-hydroxy-butyramide Formula: C33H36ClN3O4 MolecularWeight: 574.10964

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)NC(=O)C(CC3=CC=CC=C3)C(COC4CCCCC4)O)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)NC(=O)[C@H](CC3=CC=CC=C3)[C@@H](COC4CCCCC4)O)C5=CC=CC=C5

InChI

InChI=1S/C33H36ClN3O4/c1-37-28-18-17-24(34)20-26(28)30(23-13-7-3-8-14-23)35-31(33(37)40)36-32(39)27(19-22-11-5-2-6-12-22)29(38)21-41-25-15-9-4-10-16-25/h2-3,5-8,11-14,17-18,20,25,27,29,31,38H,4,9-10,15-16,19,21H2,1H3,(H,36,39)/t27-,29-,31?/m1/s1