2-azanyl-3-[2-[[4-bis(oxidanyl)arsanylphenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-methyl-butanoic acid

Systemtic Name: 2-azanyl-3-[2-[[4-bis(oxidanyl)arsanylphenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-methyl-butanoic acid Openeye Name: 2-amino-3-[2-(4-dihydroxyarsanylanilino)-2-oxo-ethyl]sulfanyl-3-methyl-butanoic acid CAS Name: 2-amino-3-[[2-(4-dihydroxyarsinoanilino)-2-oxoethyl]thio]-3-methylbutanoic acid IUPAC Name: 2-amino-3-[2-(4-dihydroxyarsanylanilino)-2-oxoethyl]sulfanyl-3-methylbutanoic acid Traditional Name: 2-amino-3-[[2-(4-dihydroxyarsinoanilino)-2-keto-ethyl]thio]-3-methyl-butyric acid Formula: C13H19AsN2O5S MolecularWeight: 390.28696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)N)SCC(=O)NC1=CC=C(C=C1)[As](O)O

Isomeric SMILES

CC(C)(C(C(=O)O)N)SCC(=O)NC1=CC=C(C=C1)[As](O)O

InChI

InChI=1S/C13H19AsN2O5S/c1-13(2,11(15)12(18)19)22-7-10(17)16-9-5-3-8(4-6-9)14(20)21/h3-6,11,20-21H,7,15H2,1-2H3,(H,16,17)(H,18,19)