(2S)-4-[(4-methylsulfanylphenyl)methyl]-4-oxidanyl-1-phenylmethoxycarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-4-[(4-methylsulfanylphenyl)methyl]-4-oxidanyl-1-phenylmethoxycarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-benzyloxycarbonyl-4-hydroxy-4-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-4-hydroxy-4-[[4-(methylthio)phenyl]methyl]-1-phenylmethoxycarbonyl-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-4-hydroxy-4-[(4-methylsulfanylphenyl)methyl]-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-carbobenzoxy-4-hydroxy-4-[4-(methylthio)benzyl]proline Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CC2(CC(N(C2)C(=O)OCC3=CC=CC=C3)C(=O)O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CC2(C[C@H](N(C2)C(=O)OCC3=CC=CC=C3)C(=O)O)O

InChI

InChI=1S/C21H23NO5S/c1-28-17-9-7-15(8-10-17)11-21(26)12-18(19(23)24)22(14-21)20(25)27-13-16-5-3-2-4-6-16/h2-10,18,26H,11-14H2,1H3,(H,23,24)/t18-,21?/m0/s1