2-[(2,4-dichlorophenyl)carbonyl-[(2-methylphenyl)sulfonyl-pyrrolidin-2-yl-methyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(2,4-dichlorophenyl)carbonyl-[(2-methylphenyl)sulfonyl-pyrrolidin-2-yl-methyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[(2,4-dichlorobenzoyl)-[o-tolylsulfonyl(pyrrolidin-2-yl)methyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[(2,4-dichlorophenyl)-oxomethyl]-[(2-methylphenyl)sulfonyl-(2-pyrrolidinyl)methyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(2,4-dichlorobenzoyl)-[(2-methylphenyl)sulfonyl-pyrrolidin-2-ylmethyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[(2,4-dichlorobenzoyl)-[o-tolylsulfonyl(pyrrolidin-2-yl)methyl]amino]-3-phenyl-propionic acid Formula: C28H28Cl2N2O5S MolecularWeight: 575.50332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)C(C2CCCN2)N(C(CC3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)C(C2CCCN2)N(C(CC3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C28H28Cl2N2O5S/c1-18-8-5-6-12-25(18)38(36,37)27(23-11-7-15-31-23)32(26(33)21-14-13-20(29)17-22(21)30)24(28(34)35)16-19-9-3-2-4-10-19/h2-6,8-10,12-14,17,23-24,27,31H,7,11,15-16H2,1H3,(H,34,35)