(2S)-2-[6-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)hexanoylamino]propanoic acid

Systemtic Name: (2S)-2-[6-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)hexanoylamino]propanoic acid Openeye Name: (2S)-2-[6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoylamino]propanoic acid CAS Name: (2S)-2-[[1-oxo-6-(4-oxo-1,2,3-benzotriazin-3-yl)hexyl]amino]propanoic acid IUPAC Name: (2S)-2-[6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoylamino]propanoic acid Traditional Name: (2S)-2-[6-(4-keto-1,2,3-benzotriazin-3-yl)hexanoylamino]propionic acid Formula: C16H20N4O4 MolecularWeight: 332.3544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)CCCCCN1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)CCCCCN1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C16H20N4O4/c1-11(16(23)24)17-14(21)9-3-2-6-10-20-15(22)12-7-4-5-8-13(12)18-19-20/h4-5,7-8,11H,2-3,6,9-10H2,1H3,(H,17,21)(H,23,24)/t11-/m0/s1