0S2

5-(3,3-dimethylbut-1-yn-1-yl)-3-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}thiophene-2-carboxylic acid


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Chemical Component Summary

Name5-(3,3-dimethylbut-1-yn-1-yl)-3-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}thiophene-2-carboxylic acid
Identifiers5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]thiophene-2-carboxylic acid
FormulaC22 H31 N O3 S
Molecular Weight389.551
TypeNON-POLYMER
Isomeric SMILESCC1CCC(CC1)C(=O)N(c2cc(sc2C(=O)O)C#CC(C)(C)C)C(C)C
InChIInChI=1S/C22H31NO3S/c1-14(2)23(20(24)16-9-7-15(3)8-10-16)18-13-17(11-12-22(4,5)6)27-19(18)21(25)26/h13-16H,7-10H2,1-6H3,(H,25,26)/t15-,16-
InChIKeyQZGDCCMKSRXDDS-WKILWMFISA-N

Chemical Details

Formal Charge0
Atom Count58
Chiral Atom Count0
Bond Count59
Aromatic Bond Count5