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

Systemtic Name: methyl (2S)-3-methyl-2-[4-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoylamino]butanoate Openeye Name: methyl (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]butanoic acid methyl ester IUPAC Name: methyl (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-butyric acid methyl ester Formula: C17H22N4O4 MolecularWeight: 346.38098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)CCCN1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O4/c1-11(2)15(17(24)25-3)18-14(22)9-6-10-21-16(23)12-7-4-5-8-13(12)19-20-21/h4-5,7-8,11,15H,6,9-10H2,1-3H3,(H,18,22)/t15-/m0/s1