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

Systemtic Name: (2R,3S)-N-[(3R)-5-tert-butyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-2-(cyclopropylmethyl)-3-oxidanyl-heptanamide Openeye Name: (2R,3S)-N-[(3R)-5-tert-butyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-2-(cyclopropylmethyl)-3-hydroxy-heptanamide CAS Name: (2R,3S)-N-[(3R)-5-tert-butyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-2-(cyclopropylmethyl)-3-hydroxyheptanamide IUPAC Name: (2R,3S)-N-[(3R)-5-tert-butyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-2-(cyclopropylmethyl)-3-hydroxyheptanamide Traditional Name: (2R,3S)-N-[(3R)-5-tert-butyl-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl]-2-(cyclopropylmethyl)-3-hydroxy-enanthamide Formula: C25H37N3O3 MolecularWeight: 427.57958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC[C@@H]([C@@H](CC1CC1)C(=O)N[C@H]2C(=O)N(C3=CC=CC=C3C(=N2)C(C)(C)C)C)O

InChI

InChI=1S/C25H37N3O3/c1-6-7-12-20(29)18(15-16-13-14-16)23(30)27-22-24(31)28(5)19-11-9-8-10-17(19)21(26-22)25(2,3)4/h8-11,16,18,20,22,29H,6-7,12-15H2,1-5H3,(H,27,30)/t18-,20+,22+/m1/s1