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

Systemtic Name: 2-[[1-(4-tert-butylphenyl)sulfonyl-4-sulfanyl-pyrrolidin-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[[1-(4-tert-butylphenyl)sulfonyl-4-sulfanyl-pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[[1-(4-tert-butylphenyl)sulfonyl-4-mercapto-2-pyrrolidinyl]-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[[1-(4-tert-butylphenyl)sulfonyl-4-sulfanylpyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[[1-(4-tert-butylphenyl)sulfonyl-4-mercapto-prolyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C24H30N2O6S2 MolecularWeight: 506.6348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O6S2/c1-24(2,3)16-6-10-19(11-7-16)34(31,32)26-14-18(33)13-21(26)22(28)25-20(23(29)30)12-15-4-8-17(27)9-5-15/h4-11,18,20-21,27,33H,12-14H2,1-3H3,(H,25,28)(H,29,30)