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

Systemtic Name: 3-phenyl-2-[[4-propoxy-1-(sulfanylmethyl)cyclohexyl]carbonylamino]propanoic acid Openeye Name: 3-phenyl-2-[[4-propoxy-1-(sulfanylmethyl)cyclohexanecarbonyl]amino]propanoic acid CAS Name: 2-[[[1-(mercaptomethyl)-4-propoxycyclohexyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-[[4-propoxy-1-(sulfanylmethyl)cyclohexanecarbonyl]amino]propanoic acid Traditional Name: 2-[[1-(mercaptomethyl)-4-propoxy-cyclohexanecarbonyl]amino]-3-phenyl-propionic acid Formula: C20H29NO4S MolecularWeight: 379.51356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1CCC(CC1)(CS)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCOC1CCC(CC1)(CS)C(=O)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H29NO4S/c1-2-12-25-16-8-10-20(14-26,11-9-16)19(24)21-17(18(22)23)13-15-6-4-3-5-7-15/h3-7,16-17,26H,2,8-14H2,1H3,(H,21,24)(H,22,23)