3-phenyl-2-[[4-propyl-1-(sulfanylmethyl)cyclohexyl]carbonylamino]propanoic acid

Systemtic Name: 3-phenyl-2-[[4-propyl-1-(sulfanylmethyl)cyclohexyl]carbonylamino]propanoic acid Openeye Name: 3-phenyl-2-[[4-propyl-1-(sulfanylmethyl)cyclohexanecarbonyl]amino]propanoic acid CAS Name: 2-[[[1-(mercaptomethyl)-4-propylcyclohexyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-[[4-propyl-1-(sulfanylmethyl)cyclohexanecarbonyl]amino]propanoic acid Traditional Name: 2-[[1-(mercaptomethyl)-4-propyl-cyclohexanecarbonyl]amino]-3-phenyl-propionic acid Formula: C20H29NO3S MolecularWeight: 363.51416

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(CC1)(CS)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCC1CCC(CC1)(CS)C(=O)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H29NO3S/c1-2-6-15-9-11-20(14-25,12-10-15)19(24)21-17(18(22)23)13-16-7-4-3-5-8-16/h3-5,7-8,15,17,25H,2,6,9-14H2,1H3,(H,21,24)(H,22,23)