3-[(5-methylthiophen-2-yl)methyl-[4-(4-phenylcyclohexyl)-1,3-thiazol-2-yl]amino]propanoic acid

Systemtic Name: 3-[(5-methylthiophen-2-yl)methyl-[4-(4-phenylcyclohexyl)-1,3-thiazol-2-yl]amino]propanoic acid Openeye Name: 3-[(5-methyl-2-thienyl)methyl-[4-(4-phenylcyclohexyl)thiazol-2-yl]amino]propanoic acid CAS Name: 3-[(5-methyl-2-thiophenyl)methyl-[4-(4-phenylcyclohexyl)-2-thiazolyl]amino]propanoic acid IUPAC Name: 3-[(5-methylthiophen-2-yl)methyl-[4-(4-phenylcyclohexyl)-1,3-thiazol-2-yl]amino]propanoic acid Traditional Name: 3-[(5-methyl-2-thienyl)methyl-[4-(4-phenylcyclohexyl)thiazol-2-yl]amino]propionic acid Formula: C24H28N2O2S2 MolecularWeight: 440.62132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CCC(=O)O)C2=NC(=CS2)C3CCC(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(S1)CN(CCC(=O)O)C2=NC(=CS2)C3CCC(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H28N2O2S2/c1-17-7-12-21(30-17)15-26(14-13-23(27)28)24-25-22(16-29-24)20-10-8-19(9-11-20)18-5-3-2-4-6-18/h2-7,12,16,19-20H,8-11,13-15H2,1H3,(H,27,28)