5-(2-hydroxyphenyl)-1-[(2S)-2-methyl-3-(4-methylphenyl)carbonylsulfanyl-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 5-(2-hydroxyphenyl)-1-[(2S)-2-methyl-3-(4-methylphenyl)carbonylsulfanyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 5-(2-hydroxyphenyl)-1-[(2S)-2-methyl-3-(4-methylbenzoyl)sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 5-(2-hydroxyphenyl)-1-[(2S)-2-methyl-3-[[(4-methylphenyl)-oxomethyl]thio]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(2-hydroxyphenyl)-1-[(2S)-2-methyl-3-(4-methylbenzoyl)sulfanylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 5-(2-hydroxyphenyl)-1-[(2S)-2-methyl-3-(p-toluoylthio)propanoyl]proline Formula: C23H25NO5S MolecularWeight: 427.5133

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)SCC(C)C(=O)N2C(CCC2C(=O)O)C3=CC=CC=C3O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)SC[C@@H](C)C(=O)N2C(CCC2C(=O)O)C3=CC=CC=C3O

InChI

InChI=1S/C23H25NO5S/c1-14-7-9-16(10-8-14)23(29)30-13-15(2)21(26)24-18(11-12-19(24)22(27)28)17-5-3-4-6-20(17)25/h3-10,15,18-19,25H,11-13H2,1-2H3,(H,27,28)/t15-,18?,19?/m1/s1