4-acetamido-1-[3-methyl-4-[1-oxidanyl-1-oxidanylidene-4-(4-pyrrolidin-1-ylphenyl)butan-2-yl]phenyl]sulfonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-acetamido-1-[3-methyl-4-[1-oxidanyl-1-oxidanylidene-4-(4-pyrrolidin-1-ylphenyl)butan-2-yl]phenyl]sulfonyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-acetamido-1-[4-[1-carboxy-3-(4-pyrrolidin-1-ylphenyl)propyl]-3-methyl-phenyl]sulfonyl-pyrrolidine-2-carboxylic acid CAS Name: 4-acetamido-1-[4-[1-hydroxy-1-oxo-4-[4-(1-pyrrolidinyl)phenyl]butan-2-yl]-3-methylphenyl]sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-acetamido-1-[4-[1-hydroxy-1-oxo-4-(4-pyrrolidin-1-ylphenyl)butan-2-yl]-3-methylphenyl]sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 4-acetamido-1-[4-[1-carboxy-3-(4-pyrrolidinophenyl)propyl]-3-methyl-phenyl]sulfonyl-proline Formula: C28H35N3O7S MolecularWeight: 557.6584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CC(CC2C(=O)O)NC(=O)C)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CC(CC2C(=O)O)NC(=O)C)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

InChI

InChI=1S/C28H35N3O7S/c1-18-15-23(39(37,38)31-17-21(29-19(2)32)16-26(31)28(35)36)10-12-24(18)25(27(33)34)11-7-20-5-8-22(9-6-20)30-13-3-4-14-30/h5-6,8-10,12,15,21,25-26H,3-4,7,11,13-14,16-17H2,1-2H3,(H,29,32)(H,33,34)(H,35,36)