2-[[(3R)-1-[3,5-bis(chloranyl)phenyl]sulfonyl-3-phenyl-pyrrolidin-2-yl]carbonylamino]-3-(4-iodophenyl)propanoic acid

Systemtic Name: 2-[[(3R)-1-[3,5-bis(chloranyl)phenyl]sulfonyl-3-phenyl-pyrrolidin-2-yl]carbonylamino]-3-(4-iodophenyl)propanoic acid Openeye Name: 2-[[(3R)-1-(3,5-dichlorophenyl)sulfonyl-3-phenyl-pyrrolidine-2-carbonyl]amino]-3-(4-iodophenyl)propanoic acid CAS Name: 2-[[[(3R)-1-(3,5-dichlorophenyl)sulfonyl-3-phenyl-2-pyrrolidinyl]-oxomethyl]amino]-3-(4-iodophenyl)propanoic acid IUPAC Name: 2-[[(3R)-1-(3,5-dichlorophenyl)sulfonyl-3-phenylpyrrolidine-2-carbonyl]amino]-3-(4-iodophenyl)propanoic acid Traditional Name: 2-[[(3R)-1-(3,5-dichlorophenyl)sulfonyl-3-phenyl-prolyl]amino]-3-(4-iodophenyl)propionic acid Formula: C26H23Cl2IN2O5S MolecularWeight: 673.34669

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C1C2=CC=CC=C2)C(=O)NC(CC3=CC=C(C=C3)I)C(=O)O)S(=O)(=O)C4=CC(=CC(=C4)Cl)Cl

Isomeric SMILES

C1CN(C([C@H]1C2=CC=CC=C2)C(=O)NC(CC3=CC=C(C=C3)I)C(=O)O)S(=O)(=O)C4=CC(=CC(=C4)Cl)Cl

InChI

InChI=1S/C26H23Cl2IN2O5S/c27-18-13-19(28)15-21(14-18)37(35,36)31-11-10-22(17-4-2-1-3-5-17)24(31)25(32)30-23(26(33)34)12-16-6-8-20(29)9-7-16/h1-9,13-15,22-24H,10-12H2,(H,30,32)(H,33,34)/t22-,23?,24?/m1/s1