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

Systemtic Name: 2-[[3-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)pentanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[3-methyl-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(4-keto-1,2,3-benzotriazin-3-yl)-3-methyl-pentanoyl]amino]-4-(methylthio)butyric acid Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O4S/c1-4-11(2)15(16(23)19-14(18(25)26)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)