(2S,4R)-1-[3-[(4-methoxyphenyl)methylsulfanyl]-2-methylsulfanyl-propanoyl]-4-oxidanyl-4-phenyl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4R)-1-[3-[(4-methoxyphenyl)methylsulfanyl]-2-methylsulfanyl-propanoyl]-4-oxidanyl-4-phenyl-pyrrolidine-2-carboxylic acid Openeye Name: (2S,4R)-4-hydroxy-1-[3-[(4-methoxyphenyl)methylsulfanyl]-2-methylsulfanyl-propanoyl]-4-phenyl-pyrrolidine-2-carboxylic acid CAS Name: (2S,4R)-4-hydroxy-1-[3-[(4-methoxyphenyl)methylthio]-2-(methylthio)-1-oxopropyl]-4-phenyl-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4R)-4-hydroxy-1-[3-[(4-methoxyphenyl)methylsulfanyl]-2-methylsulfanylpropanoyl]-4-phenylpyrrolidine-2-carboxylic acid Traditional Name: (2S,4R)-4-hydroxy-1-[2-(methylthio)-3-(p-anisylthio)propanoyl]-4-phenyl-proline Formula: C23H27NO5S2 MolecularWeight: 461.59418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSCC(C(=O)N2CC(CC2C(=O)O)(C3=CC=CC=C3)O)SC

Isomeric SMILES

COC1=CC=C(C=C1)CSCC(C(=O)N2C[C@@](C[C@H]2C(=O)O)(C3=CC=CC=C3)O)SC

InChI

InChI=1S/C23H27NO5S2/c1-29-18-10-8-16(9-11-18)13-31-14-20(30-2)21(25)24-15-23(28,12-19(24)22(26)27)17-6-4-3-5-7-17/h3-11,19-20,28H,12-15H2,1-2H3,(H,26,27)/t19-,20?,23-/m0/s1