(2R,3S)-N-(1-butyl-5-cycloheptyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)-2-(cyclopropylmethyl)-3-oxidanyl-heptanamide

Systemtic Name: (2R,3S)-N-(1-butyl-5-cycloheptyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)-2-(cyclopropylmethyl)-3-oxidanyl-heptanamide Openeye Name: (2R,3S)-N-(1-butyl-5-cycloheptyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-2-(cyclopropylmethyl)-3-hydroxy-heptanamide CAS Name: (2R,3S)-N-(1-butyl-5-cycloheptyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-2-(cyclopropylmethyl)-3-hydroxyheptanamide IUPAC Name: (2R,3S)-N-(1-butyl-5-cycloheptyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-2-(cyclopropylmethyl)-3-hydroxyheptanamide Traditional Name: (2R,3S)-N-(1-butyl-5-cycloheptyl-2-keto-3H-1,4-benzodiazepin-3-yl)-2-(cyclopropylmethyl)-3-hydroxy-enanthamide Formula: C31H47N3O3 MolecularWeight: 509.72318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC1CC1)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4CCCCCC4)CCCC)O

Isomeric SMILES

CCCC[C@@H]([C@@H](CC1CC1)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4CCCCCC4)CCCC)O

InChI

InChI=1S/C31H47N3O3/c1-3-5-17-27(35)25(21-22-18-19-22)30(36)33-29-31(37)34(20-6-4-2)26-16-12-11-15-24(26)28(32-29)23-13-9-7-8-10-14-23/h11-12,15-16,22-23,25,27,29,35H,3-10,13-14,17-21H2,1-2H3,(H,33,36)/t25-,27+,29?/m1/s1