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

Systemtic Name: (2S)-4-methyl-2-[4-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoylamino]pentanoate Openeye Name: (2S)-4-methyl-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]pentanoate CAS Name: (2S)-4-methyl-2-[[1-oxo-4-(4-oxo-1,2,3-benzotriazin-3-yl)butyl]amino]pentanoate IUPAC Name: (2S)-4-methyl-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]pentanoate Traditional Name: (2S)-2-[4-(4-keto-1,2,3-benzotriazin-3-yl)butanoylamino]-4-methyl-valerate Formula: C17H21N4O4- MolecularWeight: 345.37304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O4/c1-11(2)10-14(17(24)25)18-15(22)8-5-9-21-16(23)12-6-3-4-7-13(12)19-20-21/h3-4,6-7,11,14H,5,8-10H2,1-2H3,(H,18,22)(H,24,25)/p-1/t14-/m0/s1