4-[2-[[4-[(4-methoxyphenyl)methylsulfanyl]-1-phenethylsulfonyl-pyrrolidin-2-yl]carbonyl-methyl-amino]ethanoylamino]benzoic acid

Systemtic Name: 4-[2-[[4-[(4-methoxyphenyl)methylsulfanyl]-1-phenethylsulfonyl-pyrrolidin-2-yl]carbonyl-methyl-amino]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[[4-[(4-methoxyphenyl)methylsulfanyl]-1-phenethylsulfonyl-pyrrolidine-2-carbonyl]-methyl-amino]acetyl]amino]benzoic acid CAS Name: 4-[[2-[[[4-[(4-methoxyphenyl)methylthio]-1-phenethylsulfonyl-2-pyrrolidinyl]-oxomethyl]-methylamino]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[[4-[(4-methoxyphenyl)methylsulfanyl]-1-phenethylsulfonylpyrrolidine-2-carbonyl]-methylamino]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[methyl-[4-(p-anisylthio)-1-phenethylsulfonyl-prolyl]amino]acetyl]amino]benzoic acid Formula: C31H35N3O7S2 MolecularWeight: 625.7555

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=C(C=C1)C(=O)O)C(=O)C2CC(CN2S(=O)(=O)CCC3=CC=CC=C3)SCC4=CC=C(C=C4)OC

Isomeric SMILES

CN(CC(=O)NC1=CC=C(C=C1)C(=O)O)C(=O)C2CC(CN2S(=O)(=O)CCC3=CC=CC=C3)SCC4=CC=C(C=C4)OC

InChI

InChI=1S/C31H35N3O7S2/c1-33(20-29(35)32-25-12-10-24(11-13-25)31(37)38)30(36)28-18-27(42-21-23-8-14-26(41-2)15-9-23)19-34(28)43(39,40)17-16-22-6-4-3-5-7-22/h3-15,27-28H,16-21H2,1-2H3,(H,32,35)(H,37,38)