3-[[(2S)-3-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoyl]amino]propanoate

Systemtic Name: 3-[[(2S)-3-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoyl]amino]propanoate Openeye Name: 3-[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]propanoate CAS Name: 3-[[(2S)-3-methyl-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)butyl]amino]propanoate IUPAC Name: 3-[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]propanoate Traditional Name: 3-[[(2S)-2-(4-keto-1,2,3-benzotriazin-3-yl)-3-methyl-butanoyl]amino]propionate Formula: C15H17N4O4- MolecularWeight: 317.31988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCC(=O)[O-])N1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

CC(C)[C@@H](C(=O)NCCC(=O)[O-])N1C(=O)C2=CC=CC=C2N=N1

InChI

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