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

Systemtic Name: 4-azanyl-1-[4-[1-oxidanyl-1-oxidanylidene-4-(4-pyrrolidin-1-ylphenyl)butan-2-yl]phenyl]sulfonyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-amino-1-[4-[1-carboxy-3-(4-pyrrolidin-1-ylphenyl)propyl]phenyl]sulfonyl-pyrrolidine-2-carboxylic acid CAS Name: 4-amino-1-[4-[1-hydroxy-1-oxo-4-[4-(1-pyrrolidinyl)phenyl]butan-2-yl]phenyl]sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-amino-1-[4-[1-hydroxy-1-oxo-4-(4-pyrrolidin-1-ylphenyl)butan-2-yl]phenyl]sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 4-amino-1-[4-[1-carboxy-3-(4-pyrrolidinophenyl)propyl]phenyl]sulfonyl-proline Formula: C25H31N3O6S MolecularWeight: 501.59514

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)CCC(C3=CC=C(C=C3)S(=O)(=O)N4CC(CC4C(=O)O)N)C(=O)O

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)CCC(C3=CC=C(C=C3)S(=O)(=O)N4CC(CC4C(=O)O)N)C(=O)O

InChI

InChI=1S/C25H31N3O6S/c26-19-15-23(25(31)32)28(16-19)35(33,34)21-10-6-18(7-11-21)22(24(29)30)12-5-17-3-8-20(9-4-17)27-13-1-2-14-27/h3-4,6-11,19,22-23H,1-2,5,12-16,26H2,(H,29,30)(H,31,32)