(2S)-2-azanyl-N-(1-methyl-2-oxidanylidene-4-phenyl-3H-1,5-benzodiazepin-3-yl)hexanamide

Systemtic Name: (2S)-2-azanyl-N-(1-methyl-2-oxidanylidene-4-phenyl-3H-1,5-benzodiazepin-3-yl)hexanamide Openeye Name: (2S)-2-amino-N-(1-methyl-2-oxo-4-phenyl-3H-1,5-benzodiazepin-3-yl)hexanamide CAS Name: (2S)-2-amino-N-(1-methyl-2-oxo-4-phenyl-3H-1,5-benzodiazepin-3-yl)hexanamide IUPAC Name: (2S)-2-amino-N-(1-methyl-2-oxo-4-phenyl-3H-1,5-benzodiazepin-3-yl)hexanamide Traditional Name: (2S)-2-amino-N-(2-keto-1-methyl-4-phenyl-3H-1,5-benzodiazepin-3-yl)hexanamide Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC1C(=NC2=CC=CC=C2N(C1=O)C)C3=CC=CC=C3)N

Isomeric SMILES

CCCC[C@@H](C(=O)NC1C(=NC2=CC=CC=C2N(C1=O)C)C3=CC=CC=C3)N

InChI

InChI=1S/C22H26N4O2/c1-3-4-12-16(23)21(27)25-20-19(15-10-6-5-7-11-15)24-17-13-8-9-14-18(17)26(2)22(20)28/h5-11,13-14,16,20H,3-4,12,23H2,1-2H3,(H,25,27)/t16-,20?/m0/s1