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

Systemtic Name: 4-methoxy-1-[2-[(3-phenyl-2-sulfanyl-propanoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 4-methoxy-1-[2-[(3-phenyl-2-sulfanyl-propanoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(2-mercapto-1-oxo-3-phenylpropyl)amino]-1-oxopropyl]-4-methoxy-2-pyrrolidinecarboxylic acid IUPAC Name: 4-methoxy-1-[2-[(3-phenyl-2-sulfanylpropanoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(2-mercapto-3-phenyl-propanoyl)amino]propanoyl]-4-methoxy-proline Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O5S/c1-11(17(22)20-10-13(25-2)9-14(20)18(23)24)19-16(21)15(26)8-12-6-4-3-5-7-12/h3-7,11,13-15,26H,8-10H2,1-2H3,(H,19,21)(H,23,24)