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

Systemtic Name: (2S)-N-[(3S)-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-(propanoylamino)propanamide Openeye Name: (2S)-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-(propanoylamino)propanamide CAS Name: (2S)-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-(1-oxopropylamino)propanamide IUPAC Name: (2S)-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-(propanoylamino)propanamide Traditional Name: (2S)-N-[(3S)-2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-propionamido-propionamide Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3/c1-4-18(27)23-14(2)21(28)25-20-22(29)26(3)17-13-9-8-12-16(17)19(24-20)15-10-6-5-7-11-15/h5-14,20H,4H2,1-3H3,(H,23,27)(H,25,28)/t14-,20+/m0/s1