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

Systemtic Name: methyl (2S)-4-methyl-2-[4-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoylamino]pentanoate Openeye Name: methyl (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]pentanoic acid methyl ester IUPAC Name: methyl (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-valeric acid methyl ester Formula: C18H24N4O4 MolecularWeight: 360.40756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O4/c1-12(2)11-15(18(25)26-3)19-16(23)9-6-10-22-17(24)13-7-4-5-8-14(13)20-21-22/h4-5,7-8,12,15H,6,9-11H2,1-3H3,(H,19,23)/t15-/m0/s1