(2R,3S,4S)-3-(carboxymethyl)-4-(4-methoxyphenyl)sulfanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2R,3S,4S)-3-(carboxymethyl)-4-(4-methoxyphenyl)sulfanyl-pyrrolidine-2-carboxylic acid Openeye Name: (2R,3S,4S)-3-(carboxymethyl)-4-(4-methoxyphenyl)sulfanyl-pyrrolidine-2-carboxylic acid CAS Name: (2R,3S,4S)-3-(carboxymethyl)-4-[(4-methoxyphenyl)thio]-2-pyrrolidinecarboxylic acid IUPAC Name: (2R,3S,4S)-3-(carboxymethyl)-4-(4-methoxyphenyl)sulfanylpyrrolidine-2-carboxylic acid Traditional Name: (2R,3S,4S)-3-(carboxymethyl)-4-[(4-methoxyphenyl)thio]proline Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2CNC(C2CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S[C@@H]2CN[C@H]([C@@H]2CC(=O)O)C(=O)O

InChI

InChI=1S/C14H17NO5S/c1-20-8-2-4-9(5-3-8)21-11-7-15-13(14(18)19)10(11)6-12(16)17/h2-5,10-11,13,15H,6-7H2,1H3,(H,16,17)(H,18,19)/t10-,11-,13-/m1/s1