(2S)-4-methyl-2-[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]pentanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O4/c1-10(2)9-13(16(23)24)17-14(21)7-8-20-15(22)11-5-3-4-6-12(11)18-19-20/h3-6,10,13H,7-9H2,1-2H3,(H,17,21)(H,23,24)/p-1/t13-/m0/s1