(2S,4S)-4-[(2-hydroxyphenyl)methyl]-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4S)-4-[(2-hydroxyphenyl)methyl]-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S)-4-[(2-hydroxyphenyl)methyl]-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,4S)-4-[(2-hydroxyphenyl)methyl]-1-(3-mercapto-2-methyl-1-oxopropyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S)-4-[(2-hydroxyphenyl)methyl]-1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,4S)-1-(3-mercapto-2-methyl-propanoyl)-4-salicyl-proline Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CC(CC1C(=O)O)CC2=CC=CC=C2O

Isomeric SMILES

CC(CS)C(=O)N1C[C@H](C[C@H]1C(=O)O)CC2=CC=CC=C2O

InChI

InChI=1S/C16H21NO4S/c1-10(9-22)15(19)17-8-11(7-13(17)16(20)21)6-12-4-2-3-5-14(12)18/h2-5,10-11,13,18,22H,6-9H2,1H3,(H,20,21)/t10?,11-,13-/m0/s1