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

Systemtic Name: 2-[[4-[(4-methoxyphenyl)methylsulfanyl]-1-naphthalen-1-ylsulfonyl-pyrrolidin-2-yl]carbonyl-methyl-amino]ethanoic acid Openeye Name: 2-[[4-[(4-methoxyphenyl)methylsulfanyl]-1-(1-naphthylsulfonyl)pyrrolidine-2-carbonyl]-methyl-amino]acetic acid CAS Name: 2-[[[4-[(4-methoxyphenyl)methylthio]-1-(1-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]-methylamino]acetic acid IUPAC Name: 2-[[4-[(4-methoxyphenyl)methylsulfanyl]-1-naphthalen-1-ylsulfonylpyrrolidine-2-carbonyl]-methylamino]acetic acid Traditional Name: 2-[methyl-[1-(1-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=CC=CC3=CC=CC=C32)SCC4=CC=C(C=C4)OC

Isomeric SMILES

CN(CC(=O)O)C(=O)C1CC(CN1S(=O)(=O)C2=CC=CC3=CC=CC=C32)SCC4=CC=C(C=C4)OC

InChI

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