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

Systemtic Name: 4-methylsulfanyl-2-[[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)-3-phenyl-propanoyl]amino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)-3-phenyl-propanoyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)-3-phenylpropyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)-3-phenylpropanoyl]amino]butanoic acid Traditional Name: 2-[[2-(4-keto-1,2,3-benzotriazin-3-yl)-3-phenyl-propanoyl]amino]-4-(methylthio)butyric acid Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C21H22N4O4S/c1-30-12-11-17(21(28)29)22-19(26)18(13-14-7-3-2-4-8-14)25-20(27)15-9-5-6-10-16(15)23-24-25/h2-10,17-18H,11-13H2,1H3,(H,22,26)(H,28,29)