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

Systemtic Name: (2R,3S)-2-(cyclopropylmethyl)-N-[1-methyl-2-oxidanylidene-5-(phenylmethyl)-3H-1,4-benzodiazepin-3-yl]-3-oxidanyl-heptanamide Openeye Name: (2R,3S)-N-(5-benzyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-2-(cyclopropylmethyl)-3-hydroxy-heptanamide CAS Name: (2R,3S)-2-(cyclopropylmethyl)-3-hydroxy-N-[1-methyl-2-oxo-5-(phenylmethyl)-3H-1,4-benzodiazepin-3-yl]heptanamide IUPAC Name: (2R,3S)-N-(5-benzyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-2-(cyclopropylmethyl)-3-hydroxyheptanamide Traditional Name: (2R,3S)-N-(5-benzyl-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl)-2-(cyclopropylmethyl)-3-hydroxy-enanthamide Formula: C28H35N3O3 MolecularWeight: 461.5958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC1CC1)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)CC4=CC=CC=C4)C)O

Isomeric SMILES

CCCC[C@@H]([C@@H](CC1CC1)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)CC4=CC=CC=C4)C)O

InChI

InChI=1S/C28H35N3O3/c1-3-4-14-25(32)22(17-20-15-16-20)27(33)30-26-28(34)31(2)24-13-9-8-12-21(24)23(29-26)18-19-10-6-5-7-11-19/h5-13,20,22,25-26,32H,3-4,14-18H2,1-2H3,(H,30,33)/t22-,25+,26?/m1/s1