(2R,3S)-2-(cyclopropylmethyl)-N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-oxidanyl-5-thiophen-2-yl-pentanamide

Systemtic Name: (2R,3S)-2-(cyclopropylmethyl)-N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-oxidanyl-5-thiophen-2-yl-pentanamide Openeye Name: (2R,3S)-2-(cyclopropylmethyl)-3-hydroxy-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-5-(2-thienyl)pentanamide CAS Name: (2R,3S)-2-(cyclopropylmethyl)-3-hydroxy-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-5-thiophen-2-ylpentanamide IUPAC Name: (2R,3S)-2-(cyclopropylmethyl)-3-hydroxy-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-5-thiophen-2-ylpentanamide Traditional Name: (2R,3S)-2-(cyclopropylmethyl)-3-hydroxy-N-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)-5-(2-thienyl)valeramide Formula: C29H31N3O3S MolecularWeight: 501.63974

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C(CC3CC3)C(CCC4=CC=CS4)O)C5=CC=CC=C5

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)[C@H](CC3CC3)[C@H](CCC4=CC=CS4)O)C5=CC=CC=C5

InChI

InChI=1S/C29H31N3O3S/c1-32-24-12-6-5-11-22(24)26(20-8-3-2-4-9-20)30-27(29(32)35)31-28(34)23(18-19-13-14-19)25(33)16-15-21-10-7-17-36-21/h2-12,17,19,23,25,27,33H,13-16,18H2,1H3,(H,31,34)/t23-,25+,27?/m1/s1