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

Systemtic Name: 4-[2-[[4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidin-2-yl]carbonyl-methyl-amino]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[[4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-2-carbonyl]-methyl-amino]acetyl]amino]benzoic acid CAS Name: 4-[[2-[[[4-[(4-methoxyphenyl)methylthio]-2-pyrrolidinyl]-oxomethyl]-methylamino]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[[4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-2-carbonyl]-methylamino]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[methyl-[4-(p-anisylthio)prolyl]amino]acetyl]amino]benzoic acid Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=C(C=C1)C(=O)O)C(=O)C2CC(CN2)SCC3=CC=C(C=C3)OC

Isomeric SMILES

CN(CC(=O)NC1=CC=C(C=C1)C(=O)O)C(=O)C2CC(CN2)SCC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H27N3O5S/c1-26(13-21(27)25-17-7-5-16(6-8-17)23(29)30)22(28)20-11-19(12-24-20)32-14-15-3-9-18(31-2)10-4-15/h3-10,19-20,24H,11-14H2,1-2H3,(H,25,27)(H,29,30)