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

Systemtic Name: (2R,3S)-N-(1-butyl-5-tert-butyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)-2-(cyclopropylmethyl)-3-oxidanyl-heptanamide Openeye Name: (2R,3S)-N-(1-butyl-5-tert-butyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-2-(cyclopropylmethyl)-3-hydroxy-heptanamide CAS Name: (2R,3S)-N-(1-butyl-5-tert-butyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-2-(cyclopropylmethyl)-3-hydroxyheptanamide IUPAC Name: (2R,3S)-N-(1-butyl-5-tert-butyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-2-(cyclopropylmethyl)-3-hydroxyheptanamide Traditional Name: (2R,3S)-N-(1-butyl-5-tert-butyl-2-keto-3H-1,4-benzodiazepin-3-yl)-2-(cyclopropylmethyl)-3-hydroxy-enanthamide Formula: C28H43N3O3 MolecularWeight: 469.65932

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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)C)CCCC)O

Isomeric SMILES

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

InChI

InChI=1S/C28H43N3O3/c1-6-8-14-23(32)21(18-19-15-16-19)26(33)30-25-27(34)31(17-9-7-2)22-13-11-10-12-20(22)24(29-25)28(3,4)5/h10-13,19,21,23,25,32H,6-9,14-18H2,1-5H3,(H,30,33)/t21-,23+,25?/m1/s1