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

Systemtic Name: 2-[[1-(4-butoxyphenyl)sulfonyl-4-sulfanyl-pyrrolidin-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[[1-(4-butoxyphenyl)sulfonyl-4-sulfanyl-pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[[1-(4-butoxyphenyl)sulfonyl-4-mercapto-2-pyrrolidinyl]-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[[1-(4-butoxyphenyl)sulfonyl-4-sulfanylpyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[[1-(4-butoxyphenyl)sulfonyl-4-mercapto-prolyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C24H30N2O7S2 MolecularWeight: 522.6342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)S

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)S

InChI

InChI=1S/C24H30N2O7S2/c1-2-3-12-33-18-8-10-20(11-9-18)35(31,32)26-15-19(34)14-22(26)23(28)25-21(24(29)30)13-16-4-6-17(27)7-5-16/h4-11,19,21-22,27,34H,2-3,12-15H2,1H3,(H,25,28)(H,29,30)