2-methyl-2-[[2-[[(4-methylcyclohexyl)-phenethyl-carbamoyl]amino]-1,3-thiazol-5-yl]sulfanyl]propanoic acid

Systemtic Name: 2-methyl-2-[[2-[[(4-methylcyclohexyl)-phenethyl-carbamoyl]amino]-1,3-thiazol-5-yl]sulfanyl]propanoic acid Openeye Name: 2-methyl-2-[2-[[(4-methylcyclohexyl)-phenethyl-carbamoyl]amino]thiazol-5-yl]sulfanyl-propanoic acid CAS Name: 2-methyl-2-[[2-[[[(4-methylcyclohexyl)-phenethylamino]-oxomethyl]amino]-5-thiazolyl]thio]propanoic acid IUPAC Name: 2-methyl-2-[[2-[[(4-methylcyclohexyl)-phenethylcarbamoyl]amino]-1,3-thiazol-5-yl]sulfanyl]propanoic acid Traditional Name: 2-methyl-2-[[2-[[(4-methylcyclohexyl)-phenethyl-carbamoyl]amino]thiazol-5-yl]thio]propionic acid Formula: C23H31N3O3S2 MolecularWeight: 461.64054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N(CCC2=CC=CC=C2)C(=O)NC3=NC=C(S3)SC(C)(C)C(=O)O

Isomeric SMILES

CC1CCC(CC1)N(CCC2=CC=CC=C2)C(=O)NC3=NC=C(S3)SC(C)(C)C(=O)O

InChI

InChI=1S/C23H31N3O3S2/c1-16-9-11-18(12-10-16)26(14-13-17-7-5-4-6-8-17)22(29)25-21-24-15-19(30-21)31-23(2,3)20(27)28/h4-8,15-16,18H,9-14H2,1-3H3,(H,27,28)(H,24,25,29)