3-[(4-methoxyphenyl)sulfonylamino]-2-[3-(2-methylpropyl)-2-oxidanylidene-1-phenethyl-pyrrolidin-3-yl]propanoic acid

Systemtic Name: 3-[(4-methoxyphenyl)sulfonylamino]-2-[3-(2-methylpropyl)-2-oxidanylidene-1-phenethyl-pyrrolidin-3-yl]propanoic acid Openeye Name: 2-(3-isobutyl-2-oxo-1-phenethyl-pyrrolidin-3-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanoic acid CAS Name: 3-[(4-methoxyphenyl)sulfonylamino]-2-[3-(2-methylpropyl)-2-oxo-1-phenethyl-3-pyrrolidinyl]propanoic acid IUPAC Name: 3-[(4-methoxyphenyl)sulfonylamino]-2-[3-(2-methylpropyl)-2-oxo-1-phenethylpyrrolidin-3-yl]propanoic acid Traditional Name: 2-(3-isobutyl-2-keto-1-phenethyl-pyrrolidin-3-yl)-3-[(4-methoxyphenyl)sulfonylamino]propionic acid Formula: C26H34N2O6S MolecularWeight: 502.62296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(CCN(C1=O)CCC2=CC=CC=C2)C(CNS(=O)(=O)C3=CC=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC(C)CC1(CCN(C1=O)CCC2=CC=CC=C2)C(CNS(=O)(=O)C3=CC=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C26H34N2O6S/c1-19(2)17-26(14-16-28(25(26)31)15-13-20-7-5-4-6-8-20)23(24(29)30)18-27-35(32,33)22-11-9-21(34-3)10-12-22/h4-12,19,23,27H,13-18H2,1-3H3,(H,29,30)