4-methylsulfanyl-2-[[2-[[4-[4-[2-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]ethanoylamino]phenyl]sulfonylphenyl]amino]-2-oxidanylidene-ethyl]amino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[2-[[4-[4-[2-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]ethanoylamino]phenyl]sulfonylphenyl]amino]-2-oxidanylidene-ethyl]amino]butanoic acid Openeye Name: 2-[[2-[4-[4-[[2-[(1-carboxy-3-methylsulfanyl-propyl)amino]acetyl]amino]phenyl]sulfonylanilino]-2-oxo-ethyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[4-[4-[[2-[[1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-1-oxoethyl]amino]phenyl]sulfonylanilino]-2-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-[4-[4-[[2-[(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)amino]acetyl]amino]phenyl]sulfonylanilino]-2-oxoethyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-[4-[4-[[2-[[1-carboxy-3-(methylthio)propyl]amino]acetyl]amino]phenyl]sulfonylanilino]-2-keto-ethyl]amino]-4-(methylthio)butyric acid Formula: C26H34N4O8S3 MolecularWeight: 626.76516

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NCC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CNC(CCSC)C(=O)O

Isomeric SMILES

CSCCC(C(=O)O)NCC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CNC(CCSC)C(=O)O

InChI

InChI=1S/C26H34N4O8S3/c1-39-13-11-21(25(33)34)27-15-23(31)29-17-3-7-19(8-4-17)41(37,38)20-9-5-18(6-10-20)30-24(32)16-28-22(26(35)36)12-14-40-2/h3-10,21-22,27-28H,11-16H2,1-2H3,(H,29,31)(H,30,32)(H,33,34)(H,35,36)