(2S,4S,5R)-4-methoxycarbonyl-1-[(2R)-2-methyl-3-sulfanyl-propanoyl]-5-phenyl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4S,5R)-4-methoxycarbonyl-1-[(2R)-2-methyl-3-sulfanyl-propanoyl]-5-phenyl-pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S,5R)-4-methoxycarbonyl-1-[(2R)-2-methyl-3-sulfanyl-propanoyl]-5-phenyl-pyrrolidine-2-carboxylic acid CAS Name: (2S,4S,5R)-1-[(2R)-3-mercapto-2-methyl-1-oxopropyl]-4-methoxycarbonyl-5-phenyl-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S,5R)-4-methoxycarbonyl-1-[(2R)-2-methyl-3-sulfanylpropanoyl]-5-phenylpyrrolidine-2-carboxylic acid Traditional Name: (2S,4S,5R)-4-carbomethoxy-1-[(2R)-3-mercapto-2-methyl-propanoyl]-5-phenyl-proline Formula: C17H21NO5S MolecularWeight: 351.41734

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1C(CC(C1C2=CC=CC=C2)C(=O)OC)C(=O)O

Isomeric SMILES

C[C@@H](CS)C(=O)N1[C@@H](C[C@@H]([C@@H]1C2=CC=CC=C2)C(=O)OC)C(=O)O

InChI

InChI=1S/C17H21NO5S/c1-10(9-24)15(19)18-13(16(20)21)8-12(17(22)23-2)14(18)11-6-4-3-5-7-11/h3-7,10,12-14,24H,8-9H2,1-2H3,(H,20,21)/t10-,12-,13-,14-/m0/s1