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

Systemtic Name: (2R,3S)-N-(7-chloranyl-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-4-cyclohexyloxy-2-(cyclopentylmethyl)-3-oxidanyl-butanamide Openeye Name: (2R,3S)-N-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-4-(cyclohexoxy)-2-(cyclopentylmethyl)-3-hydroxy-butanamide CAS Name: (2R,3S)-N-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-4-cyclohexyloxy-2-(cyclopentylmethyl)-3-hydroxybutanamide IUPAC Name: (2R,3S)-N-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-4-cyclohexyloxy-2-(cyclopentylmethyl)-3-hydroxybutanamide Traditional Name: (2R,3S)-N-(7-chloro-2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)-4-(cyclohexoxy)-2-(cyclopentylmethyl)-3-hydroxy-butyramide Formula: C32H40ClN3O4 MolecularWeight: 566.1307

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)NC(=O)C(CC3CCCC3)C(COC4CCCCC4)O)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)NC(=O)[C@H](CC3CCCC3)[C@@H](COC4CCCCC4)O)C5=CC=CC=C5

InChI

InChI=1S/C32H40ClN3O4/c1-36-27-17-16-23(33)19-25(27)29(22-12-4-2-5-13-22)34-30(32(36)39)35-31(38)26(18-21-10-8-9-11-21)28(37)20-40-24-14-6-3-7-15-24/h2,4-5,12-13,16-17,19,21,24,26,28,30,37H,3,6-11,14-15,18,20H2,1H3,(H,35,38)/t26-,28-,30?/m1/s1