(2S)-3-methyl-2-[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]butanoate

Systemtic Name: (2S)-3-methyl-2-[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]butanoate Openeye Name: (2S)-3-methyl-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]butanoate CAS Name: (2S)-3-methyl-2-[[1-oxo-3-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]butanoate Traditional Name: (2S)-2-[3-(4-keto-1,2,3-benzotriazin-3-yl)propanoylamino]-3-methyl-butyrate Formula: C15H17N4O4- MolecularWeight: 317.31988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)CCN1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)CCN1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C15H18N4O4/c1-9(2)13(15(22)23)16-12(20)7-8-19-14(21)10-5-3-4-6-11(10)17-18-19/h3-6,9,13H,7-8H2,1-2H3,(H,16,20)(H,22,23)/p-1/t13-/m0/s1