3-methyl-2-[[4-methylsulfanyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoyl]amino]pentanoic acid

Systemtic Name: 3-methyl-2-[[4-methylsulfanyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoyl]amino]pentanoic acid Openeye Name: 3-methyl-2-[[4-methylsulfanyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]pentanoic acid CAS Name: 3-methyl-2-[[4-(methylthio)-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)butyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[[4-methylsulfanyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]pentanoic acid Traditional Name: 2-[[2-(4-keto-1,2,3-benzotriazin-3-yl)-4-(methylthio)butanoyl]amino]-3-methyl-valeric acid Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C(CCSC)N1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)C(CCSC)N1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C18H24N4O4S/c1-4-11(2)15(18(25)26)19-16(23)14(9-10-27-3)22-17(24)12-7-5-6-8-13(12)20-21-22/h5-8,11,14-15H,4,9-10H2,1-3H3,(H,19,23)(H,25,26)