3-[(4-aminocarbonylphenyl)-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-arsanyl]sulfanyl-2-azanyl-propanoic acid

Systemtic Name: 3-[(4-aminocarbonylphenyl)-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-arsanyl]sulfanyl-2-azanyl-propanoic acid Openeye Name: 2-amino-3-[(2-amino-3-hydroxy-3-oxo-propyl)sulfanyl-(4-carbamoylphenyl)arsanyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[[(2-amino-3-hydroxy-3-oxopropyl)thio]-(4-carbamoylphenyl)arsino]thio]propanoic acid IUPAC Name: 2-amino-3-[(2-amino-3-hydroxy-3-oxopropyl)sulfanyl-(4-carbamoylphenyl)arsanyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[[(2-amino-3-hydroxy-3-keto-propyl)thio]-(4-carbamoylphenyl)arsino]thio]propionic acid Formula: C13H18AsN3O5S2 MolecularWeight: 435.35072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N)[As](SCC(C(=O)O)N)SCC(C(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)N)[As](SCC(C(=O)O)N)SCC(C(=O)O)N

InChI

InChI=1S/C13H18AsN3O5S2/c15-9(12(19)20)5-23-14(24-6-10(16)13(21)22)8-3-1-7(2-4-8)11(17)18/h1-4,9-10H,5-6,15-16H2,(H2,17,18)(H,19,20)(H,21,22)