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

Systemtic Name: (2S)-2-azanyl-N-(2-oxidanylidene-1-phenethyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide Openeye Name: (2S)-2-amino-N-(2-oxo-1-phenethyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide CAS Name: (2S)-2-amino-N-(2-oxo-1-phenethyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide IUPAC Name: (2S)-2-amino-N-(2-oxo-1-phenethyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide Traditional Name: (2S)-2-amino-N-(2-keto-1-phenethyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)propionamide Formula: C26H26N4O2 MolecularWeight: 426.51024

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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)CCC4=CC=CC=C4)N

Isomeric SMILES

C[C@@H](C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CCC4=CC=CC=C4)N

InChI

InChI=1S/C26H26N4O2/c1-18(27)25(31)29-24-26(32)30(17-16-19-10-4-2-5-11-19)22-15-9-8-14-21(22)23(28-24)20-12-6-3-7-13-20/h2-15,18,24H,16-17,27H2,1H3,(H,29,31)/t18-,24?/m0/s1