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

Systemtic Name: (2S,3S)-3-methyl-2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]pentanoate Openeye Name: (2S,3S)-3-methyl-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]amino]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]pentanoate Traditional Name: (2S,3S)-2-[[2-(4-keto-1,2,3-benzotriazin-3-yl)acetyl]amino]-3-methyl-valerate Formula: C15H17N4O4- MolecularWeight: 317.31988

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)CN1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)CN1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C15H18N4O4/c1-3-9(2)13(15(22)23)16-12(20)8-19-14(21)10-6-4-5-7-11(10)17-18-19/h4-7,9,13H,3,8H2,1-2H3,(H,16,20)(H,22,23)/p-1/t9-,13-/m0/s1