1-(2-azanylethanoyl)-5-(2-methoxyphenyl)-3-[3-(4-methoxyphenyl)propanoyl]-2-sulfanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(2-azanylethanoyl)-5-(2-methoxyphenyl)-3-[3-(4-methoxyphenyl)propanoyl]-2-sulfanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-aminoacetyl)-5-(2-methoxyphenyl)-3-[3-(4-methoxyphenyl)propanoyl]-2-sulfanyl-pyrrolidine-2-carboxylic acid CAS Name: 1-(2-amino-1-oxoethyl)-2-mercapto-5-(2-methoxyphenyl)-3-[3-(4-methoxyphenyl)-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-aminoacetyl)-5-(2-methoxyphenyl)-3-[3-(4-methoxyphenyl)propanoyl]-2-sulfanylpyrrolidine-2-carboxylic acid Traditional Name: 1-glycyl-2-mercapto-5-(2-methoxyphenyl)-3-[3-(4-methoxyphenyl)propanoyl]proline Formula: C24H28N2O6S MolecularWeight: 472.55392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)C2CC(N(C2(C(=O)O)S)C(=O)CN)C3=CC=CC=C3OC

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)C2CC(N(C2(C(=O)O)S)C(=O)CN)C3=CC=CC=C3OC

InChI

InChI=1S/C24H28N2O6S/c1-31-16-10-7-15(8-11-16)9-12-20(27)18-13-19(17-5-3-4-6-21(17)32-2)26(22(28)14-25)24(18,33)23(29)30/h3-8,10-11,18-19,33H,9,12-14,25H2,1-2H3,(H,29,30)