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

Systemtic Name: (2S)-2-[4-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoylamino]propanoic acid Openeye Name: (2S)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]propanoic acid CAS Name: (2S)-2-[[1-oxo-4-(4-oxo-1,2,3-benzotriazin-3-yl)butyl]amino]propanoic acid IUPAC Name: (2S)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]propanoic acid Traditional Name: (2S)-2-[4-(4-keto-1,2,3-benzotriazin-3-yl)butanoylamino]propionic acid Formula: C14H16N4O4 MolecularWeight: 304.30124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)CCCN1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)CCCN1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C14H16N4O4/c1-9(14(21)22)15-12(19)7-4-8-18-13(20)10-5-2-3-6-11(10)16-17-18/h2-3,5-6,9H,4,7-8H2,1H3,(H,15,19)(H,21,22)/t9-/m0/s1