(2S)-2-(2-cyclohexylethanoylamino)-N-[(3S)-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide

Systemtic Name: (2S)-2-(2-cyclohexylethanoylamino)-N-[(3S)-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide Openeye Name: (2S)-2-[(2-cyclohexylacetyl)amino]-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide CAS Name: (2S)-2-[(2-cyclohexyl-1-oxoethyl)amino]-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide IUPAC Name: (2S)-2-[(2-cyclohexylacetyl)amino]-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide Traditional Name: (2S)-2-[(2-cyclohexylacetyl)amino]-N-[(3S)-2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl]propionamide Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C)NC(=O)CC4CCCCC4

Isomeric SMILES

C[C@@H](C(=O)N[C@@H]1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C)NC(=O)CC4CCCCC4

InChI

InChI=1S/C27H32N4O3/c1-18(28-23(32)17-19-11-5-3-6-12-19)26(33)30-25-27(34)31(2)22-16-10-9-15-21(22)24(29-25)20-13-7-4-8-14-20/h4,7-10,13-16,18-19,25H,3,5-6,11-12,17H2,1-2H3,(H,28,32)(H,30,33)/t18-,25+/m0/s1