6-[[(2S)-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoyl]amino]hexanoate

Systemtic Name: 6-[[(2S)-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoyl]amino]hexanoate Openeye Name: 6-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]amino]hexanoate CAS Name: 6-[[(2S)-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]amino]hexanoate IUPAC Name: 6-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]amino]hexanoate Traditional Name: 6-[[(2S)-2-(4-keto-1,2,3-benzotriazin-3-yl)propanoyl]amino]hexanoate Formula: C16H19N4O4- MolecularWeight: 331.34646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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