(2S)-2-[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]propanoic acid

Systemtic Name: (2S)-2-[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]propanoic acid Openeye Name: (2S)-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]propanoic acid CAS Name: (2S)-2-[[1-oxo-3-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]amino]propanoic acid IUPAC Name: (2S)-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]propanoic acid Traditional Name: (2S)-2-[3-(4-keto-1,2,3-benzotriazin-3-yl)propanoylamino]propionic acid Formula: C13H14N4O4 MolecularWeight: 290.27466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)CCN1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O4/c1-8(13(20)21)14-11(18)6-7-17-12(19)9-4-2-3-5-10(9)15-16-17/h2-5,8H,6-7H2,1H3,(H,14,18)(H,20,21)/t8-/m0/s1