1-[2-(ethylcarbamoylsulfanylmethyl)-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(ethylcarbamoylsulfanylmethyl)-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-benzyl-3-(ethylcarbamoylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(ethylcarbamoylthio)methyl]-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-benzyl-3-(ethylcarbamoylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-benzyl-3-(ethylcarbamoylthio)propanoyl]proline Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)SCC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CCNC(=O)SCC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C18H24N2O4S/c1-2-19-18(24)25-12-14(11-13-7-4-3-5-8-13)16(21)20-10-6-9-15(20)17(22)23/h3-5,7-8,14-15H,2,6,9-12H2,1H3,(H,19,24)(H,22,23)