(2S,3S)-N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2-(2-methylpropyl)-3-oxidanyl-heptanamide

Systemtic Name: (2S,3S)-N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2-(2-methylpropyl)-3-oxidanyl-heptanamide Openeye Name: (2S,3S)-3-hydroxy-2-isobutyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)heptanamide CAS Name: (2S,3S)-3-hydroxy-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2-(2-methylpropyl)heptanamide IUPAC Name: (2S,3S)-3-hydroxy-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2-(2-methylpropyl)heptanamide Traditional Name: (2S,3S)-3-hydroxy-2-isobutyl-N-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)enanthamide Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC(C)C)C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C)O

Isomeric SMILES

CCCC[C@@H]([C@H](CC(C)C)C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C)O

InChI

InChI=1S/C27H35N3O3/c1-5-6-16-23(31)21(17-18(2)3)26(32)29-25-27(33)30(4)22-15-11-10-14-20(22)24(28-25)19-12-8-7-9-13-19/h7-15,18,21,23,25,31H,5-6,16-17H2,1-4H3,(H,29,32)/t21-,23-,25?/m0/s1