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

Systemtic Name: (2S,3S)-N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-oxidanyl-2-propyl-heptanamide Openeye Name: (2S,3S)-3-hydroxy-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2-propyl-heptanamide CAS Name: (2S,3S)-3-hydroxy-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2-propylheptanamide IUPAC Name: (2S,3S)-3-hydroxy-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2-propylheptanamide Traditional Name: (2S,3S)-3-hydroxy-N-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2-propyl-enanthamide Formula: C26H33N3O3 MolecularWeight: 435.55852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O3/c1-4-6-17-22(30)20(12-5-2)25(31)28-24-26(32)29(3)21-16-11-10-15-19(21)23(27-24)18-13-8-7-9-14-18/h7-11,13-16,20,22,24,30H,4-6,12,17H2,1-3H3,(H,28,31)/t20-,22-,24?/m0/s1