2-[[1-(3,4-dimethoxyphenyl)sulfonyl-4-sulfanyl-pyrrolidin-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[[1-(3,4-dimethoxyphenyl)sulfonyl-4-sulfanyl-pyrrolidin-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[[1-(3,4-dimethoxyphenyl)sulfonyl-4-sulfanyl-pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[[1-(3,4-dimethoxyphenyl)sulfonyl-4-mercapto-2-pyrrolidinyl]-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[[1-(3,4-dimethoxyphenyl)sulfonyl-4-sulfanylpyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[[1-(3,4-dimethoxyphenyl)sulfonyl-4-mercapto-prolyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C22H26N2O8S2 MolecularWeight: 510.58044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)S)OC

InChI

InChI=1S/C22H26N2O8S2/c1-31-19-8-7-16(11-20(19)32-2)34(29,30)24-12-15(33)10-18(24)21(26)23-17(22(27)28)9-13-3-5-14(25)6-4-13/h3-8,11,15,17-18,25,33H,9-10,12H2,1-2H3,(H,23,26)(H,27,28)