2-[[4-[(4-methoxyphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonyl-pyrrolidin-2-yl]carbonyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[4-[(4-methoxyphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonyl-pyrrolidin-2-yl]carbonyl-methyl-amino]ethanoic acid Openeye Name: 2-[[4-[(4-methoxyphenyl)methylsulfanyl]-1-(2-naphthylsulfonyl)pyrrolidine-2-carbonyl]-methyl-amino]acetic acid CAS Name: 2-[[[4-[(4-methoxyphenyl)methylthio]-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]-methylamino]acetic acid IUPAC Name: 2-[[4-[(4-methoxyphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carbonyl]-methylamino]acetic acid Traditional Name: 2-[methyl-[1-(2-naphthylsulfonyl)-4-(p-anisylthio)prolyl]amino]acetic acid Formula: C26H28N2O6S2 MolecularWeight: 528.64032

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=O)C1CC(CN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)SCC4=CC=C(C=C4)OC

Isomeric SMILES

CN(CC(=O)O)C(=O)C1CC(CN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)SCC4=CC=C(C=C4)OC

InChI

InChI=1S/C26H28N2O6S2/c1-27(16-25(29)30)26(31)24-14-22(35-17-18-7-10-21(34-2)11-8-18)15-28(24)36(32,33)23-12-9-19-5-3-4-6-20(19)13-23/h3-13,22,24H,14-17H2,1-2H3,(H,29,30)