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

Systemtic Name: (2R,3S)-N-(1-butyl-2-oxidanylidene-5-propan-2-yl-3H-1,4-benzodiazepin-3-yl)-2-(cyclopropylmethyl)-3-oxidanyl-heptanamide Openeye Name: (2R,3S)-N-(1-butyl-5-isopropyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-2-(cyclopropylmethyl)-3-hydroxy-heptanamide CAS Name: (2R,3S)-N-(1-butyl-2-oxo-5-propan-2-yl-3H-1,4-benzodiazepin-3-yl)-2-(cyclopropylmethyl)-3-hydroxyheptanamide IUPAC Name: (2R,3S)-N-(1-butyl-2-oxo-5-propan-2-yl-3H-1,4-benzodiazepin-3-yl)-2-(cyclopropylmethyl)-3-hydroxyheptanamide Traditional Name: (2R,3S)-N-(1-butyl-5-isopropyl-2-keto-3H-1,4-benzodiazepin-3-yl)-2-(cyclopropylmethyl)-3-hydroxy-enanthamide Formula: C27H41N3O3 MolecularWeight: 455.63274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H41N3O3/c1-5-7-13-23(31)21(17-19-14-15-19)26(32)29-25-27(33)30(16-8-6-2)22-12-10-9-11-20(22)24(28-25)18(3)4/h9-12,18-19,21,23,25,31H,5-8,13-17H2,1-4H3,(H,29,32)/t21-,23+,25?/m1/s1