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

Systemtic Name: 3-[[4-(aminocarbonylamino)phenyl]-(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-ureidophenyl)arsanyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[[(2-amino-3-hydroxy-3-oxopropyl)thio]-[4-(carbamoylamino)phenyl]arsino]thio]propanoic acid IUPAC Name: 2-amino-3-[(2-amino-3-hydroxy-3-oxopropyl)sulfanyl-[4-(carbamoylamino)phenyl]arsanyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[[(2-amino-3-hydroxy-3-keto-propyl)thio]-(4-ureidophenyl)arsino]thio]propionic acid Formula: C13H19AsN4O5S2 MolecularWeight: 450.36536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)N)[As](SCC(C(=O)O)N)SCC(C(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1NC(=O)N)[As](SCC(C(=O)O)N)SCC(C(=O)O)N

InChI

InChI=1S/C13H19AsN4O5S2/c15-9(11(19)20)5-24-14(25-6-10(16)12(21)22)7-1-3-8(4-2-7)18-13(17)23/h1-4,9-10H,5-6,15-16H2,(H,19,20)(H,21,22)(H3,17,18,23)