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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(CC1)C2=CSC(=N2)N(CCC(=O)O)CC3=CC=C(S3)C

Isomeric SMILES

CCCC1CCC(CC1)C2=CSC(=N2)N(CCC(=O)O)CC3=CC=C(S3)C

InChI

InChI=1S/C21H30N2O2S2/c1-3-4-16-6-8-17(9-7-16)19-14-26-21(22-19)23(12-11-20(24)25)13-18-10-5-15(2)27-18/h5,10,14,16-17H,3-4,6-9,11-13H2,1-2H3,(H,24,25)