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

Systemtic Name: (2S)-2-azanyl-N-(1-methyl-2-oxidanylidene-5-propyl-3H-1,4-benzodiazepin-3-yl)propanamide Openeye Name: (2S)-2-amino-N-(1-methyl-2-oxo-5-propyl-3H-1,4-benzodiazepin-3-yl)propanamide CAS Name: (2S)-2-amino-N-(1-methyl-2-oxo-5-propyl-3H-1,4-benzodiazepin-3-yl)propanamide IUPAC Name: (2S)-2-amino-N-(1-methyl-2-oxo-5-propyl-3H-1,4-benzodiazepin-3-yl)propanamide Traditional Name: (2S)-2-amino-N-(2-keto-1-methyl-5-propyl-3H-1,4-benzodiazepin-3-yl)propionamide Formula: C16H22N4O2 MolecularWeight: 302.37148

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(C(=O)N(C2=CC=CC=C21)C)NC(=O)C(C)N

Isomeric SMILES

CCCC1=NC(C(=O)N(C2=CC=CC=C21)C)NC(=O)[C@H](C)N

InChI

InChI=1S/C16H22N4O2/c1-4-7-12-11-8-5-6-9-13(11)20(3)16(22)14(18-12)19-15(21)10(2)17/h5-6,8-10,14H,4,7,17H2,1-3H3,(H,19,21)/t10-,14?/m0/s1