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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O4/c1-3-10(2)14(16(23)24)17-13(21)8-9-20-15(22)11-6-4-5-7-12(11)18-19-20/h4-7,10,14H,3,8-9H2,1-2H3,(H,17,21)(H,23,24)/p-1/t10-,14-/m0/s1