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

Systemtic Name: 3-[(5-methylthiophen-2-yl)methyl-[4-(4-propan-2-ylcyclohexyl)-1,3-thiazol-2-yl]amino]propanoic acid Openeye Name: 3-[[4-(4-isopropylcyclohexyl)thiazol-2-yl]-[(5-methyl-2-thienyl)methyl]amino]propanoic acid CAS Name: 3-[(5-methyl-2-thiophenyl)methyl-[4-(4-propan-2-ylcyclohexyl)-2-thiazolyl]amino]propanoic acid IUPAC Name: 3-[(5-methylthiophen-2-yl)methyl-[4-(4-propan-2-ylcyclohexyl)-1,3-thiazol-2-yl]amino]propanoic acid Traditional Name: 3-[[4-(4-isopropylcyclohexyl)thiazol-2-yl]-[(5-methyl-2-thienyl)methyl]amino]propionic acid Formula: C21H30N2O2S2 MolecularWeight: 406.6051

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O2S2/c1-14(2)16-5-7-17(8-6-16)19-13-26-21(22-19)23(11-10-20(24)25)12-18-9-4-15(3)27-18/h4,9,13-14,16-17H,5-8,10-12H2,1-3H3,(H,24,25)