4-oxidanyl-1-[2-[(3-phenyl-2-sulfanyl-propanoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 4-oxidanyl-1-[2-[(3-phenyl-2-sulfanyl-propanoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 4-hydroxy-1-[2-[(3-phenyl-2-sulfanyl-propanoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 4-hydroxy-1-[2-[(2-mercapto-1-oxo-3-phenylpropyl)amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-hydroxy-1-[2-[(3-phenyl-2-sulfanylpropanoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 4-hydroxy-1-[2-[(2-mercapto-3-phenyl-propanoyl)amino]propanoyl]proline Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC(CC1C(=O)O)O)NC(=O)C(CC2=CC=CC=C2)S

Isomeric SMILES

CC(C(=O)N1CC(CC1C(=O)O)O)NC(=O)C(CC2=CC=CC=C2)S

InChI

InChI=1S/C17H22N2O5S/c1-10(16(22)19-9-12(20)8-13(19)17(23)24)18-15(21)14(25)7-11-5-3-2-4-6-11/h2-6,10,12-14,20,25H,7-9H2,1H3,(H,18,21)(H,23,24)