2-[[2-[[2-[(2-azanyl-3-methyl-butanoyl)amino]-3-oxidanyl-butanoyl]amino]-3-[2-[[2-bis(oxidanyl)arsanylphenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-[[2-[(2-azanyl-3-methyl-butanoyl)amino]-3-oxidanyl-butanoyl]amino]-3-[2-[[2-bis(oxidanyl)arsanylphenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-propanoyl]amino]ethanoic acid Openeye Name: 2-[[2-[[2-[(2-amino-3-methyl-butanoyl)amino]-3-hydroxy-butanoyl]amino]-3-[2-(2-dihydroxyarsanylanilino)-2-oxo-ethyl]sulfanyl-propanoyl]amino]acetic acid CAS Name: 2-[[2-[[2-[(2-amino-3-methyl-1-oxobutyl)amino]-3-hydroxy-1-oxobutyl]amino]-3-[[2-(2-dihydroxyarsinoanilino)-2-oxoethyl]thio]-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[[2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-hydroxybutanoyl]amino]-3-[2-(2-dihydroxyarsanylanilino)-2-oxoethyl]sulfanylpropanoyl]amino]acetic acid Traditional Name: 2-[[2-[[2-[(2-amino-3-methyl-butanoyl)amino]-3-hydroxy-butanoyl]amino]-3-[[2-(2-dihydroxyarsinoanilino)-2-keto-ethyl]thio]propanoyl]amino]acetic acid Formula: C22H34AsN5O9S MolecularWeight: 619.52006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C(C)O)C(=O)NC(CSCC(=O)NC1=CC=CC=C1[As](O)O)C(=O)NCC(=O)O)N

Isomeric SMILES

CC(C)C(C(=O)NC(C(C)O)C(=O)NC(CSCC(=O)NC1=CC=CC=C1[As](O)O)C(=O)NCC(=O)O)N

InChI

InChI=1S/C22H34AsN5O9S/c1-11(2)18(24)21(34)28-19(12(3)29)22(35)27-15(20(33)25-8-17(31)32)9-38-10-16(30)26-14-7-5-4-6-13(14)23(36)37/h4-7,11-12,15,18-19,29,36-37H,8-10,24H2,1-3H3,(H,25,33)(H,26,30)(H,27,35)(H,28,34)(H,31,32)