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

Systemtic Name: 2-[[4-tert-butyl-1-(sulfanylmethyl)cyclohexyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-tert-butyl-1-(sulfanylmethyl)cyclohexanecarbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[4-tert-butyl-1-(mercaptomethyl)cyclohexyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-tert-butyl-1-(sulfanylmethyl)cyclohexanecarbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[4-tert-butyl-1-(mercaptomethyl)cyclohexanecarbonyl]amino]-3-phenyl-propionic acid Formula: C21H31NO3S MolecularWeight: 377.54074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)(CS)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1CCC(CC1)(CS)C(=O)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H31NO3S/c1-20(2,3)16-9-11-21(14-26,12-10-16)19(25)22-17(18(23)24)13-15-7-5-4-6-8-15/h4-8,16-17,26H,9-14H2,1-3H3,(H,22,25)(H,23,24)