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

Systemtic Name: 2-[[4-phenethyloxy-1-(sulfanylmethyl)cyclohexyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-phenethyloxy-1-(sulfanylmethyl)cyclohexanecarbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[1-(mercaptomethyl)-4-phenethyloxycyclohexyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-phenethyloxy-1-(sulfanylmethyl)cyclohexanecarbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[1-(mercaptomethyl)-4-phenethyloxy-cyclohexanecarbonyl]amino]-3-phenyl-propionic acid Formula: C25H31NO4S MolecularWeight: 441.58294

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1OCCC2=CC=CC=C2)(CS)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(CCC1OCCC2=CC=CC=C2)(CS)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H31NO4S/c27-23(28)22(17-20-9-5-2-6-10-20)26-24(29)25(18-31)14-11-21(12-15-25)30-16-13-19-7-3-1-4-8-19/h1-10,21-22,31H,11-18H2,(H,26,29)(H,27,28)