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

Systemtic Name: (2S)-2-azanyl-N-[(5S)-3-methyl-4-oxidanylidene-5H-2,3-benzodiazepin-5-yl]propanamide Openeye Name: (2S)-2-amino-N-[(5S)-3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl]propanamide CAS Name: (2S)-2-amino-N-[(5S)-3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl]propanamide IUPAC Name: (2S)-2-amino-N-[(5S)-3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl]propanamide Traditional Name: (2S)-2-amino-N-[(5S)-4-keto-3-methyl-5H-2,3-benzodiazepin-5-yl]propionamide Formula: C13H16N4O2 MolecularWeight: 260.29174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C2=CC=CC=C2C=NN(C1=O)C)N

Isomeric SMILES

C[C@@H](C(=O)N[C@H]1C2=CC=CC=C2C=NN(C1=O)C)N

InChI

InChI=1S/C13H16N4O2/c1-8(14)12(18)16-11-10-6-4-3-5-9(10)7-15-17(2)13(11)19/h3-8,11H,14H2,1-2H3,(H,16,18)/t8-,11-/m0/s1