2-[[4-methoxy-1-(3-sulfanylpropyl)cyclohexyl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-methoxy-1-(3-sulfanylpropyl)cyclohexyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-methoxy-1-(3-sulfanylpropyl)cyclohexanecarbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[1-(3-mercaptopropyl)-4-methoxycyclohexyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-methoxy-1-(3-sulfanylpropyl)cyclohexanecarbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[1-(3-mercaptopropyl)-4-methoxy-cyclohexanecarbonyl]amino]-3-phenyl-propionic acid Formula: C20H29NO4S MolecularWeight: 379.51356

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCC(CC1)(CCCS)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

COC1CCC(CC1)(CCCS)C(=O)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H29NO4S/c1-25-16-8-11-20(12-9-16,10-5-13-26)19(24)21-17(18(22)23)14-15-6-3-2-4-7-15/h2-4,6-7,16-17,26H,5,8-14H2,1H3,(H,21,24)(H,22,23)