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

Systemtic Name: (2S)-3-methyl-2-[4-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoylamino]butanoate Openeye Name: (2S)-3-methyl-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]butanoate CAS Name: (2S)-3-methyl-2-[[1-oxo-4-(4-oxo-1,2,3-benzotriazin-3-yl)butyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]butanoate Traditional Name: (2S)-2-[4-(4-keto-1,2,3-benzotriazin-3-yl)butanoylamino]-3-methyl-butyrate Formula: C16H19N4O4- MolecularWeight: 331.34646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O4/c1-10(2)14(16(23)24)17-13(21)8-5-9-20-15(22)11-6-3-4-7-12(11)18-19-20/h3-4,6-7,10,14H,5,8-9H2,1-2H3,(H,17,21)(H,23,24)/p-1/t14-/m0/s1