1-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]cyclopentane-1-carboxylic acid

Systemtic Name: 1-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]cyclopentane-1-carboxylic acid Openeye Name: 1-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]cyclopentanecarboxylic acid CAS Name: 1-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-1-cyclopentanecarboxylic acid IUPAC Name: 1-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid Traditional Name: 1-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]cyclopentanecarboxylic acid Formula: C18H23NO4S MolecularWeight: 349.44452

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2(CCCC2)C(=O)O

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2(CCCC2)C(=O)O

InChI

InChI=1S/C18H23NO4S/c1-13(20)24-12-15(11-14-7-3-2-4-8-14)16(21)19-18(17(22)23)9-5-6-10-18/h2-4,7-8,15H,5-6,9-12H2,1H3,(H,19,21)(H,22,23)