5-(3,3-dimethylbut-1-yn-1-yl)-3-{2,2-dimethyl-1-[(trans-4-methylcyclohexyl)carbonyl]hydrazinyl}thiophene-2-carboxylic acid (Q27451361)

CHEMBL2041670 (English)

19 October 2016

chemical formula

C₂₁H₃₀N₂O₃S

1 reference

stated in

RCSB protein data bank

PDB ligand ID

0S3

16 February 2021

canonical SMILES

CC1CCC(CC1)C(=O)N(N(C)C)C=2C=C(C#CC(C)(C)C)SC2C(=O)O

1 reference

CHEMBL2041670 (English)

19 October 2016

isomeric SMILES

C[C@@H]1CC[C@H](CC1)C(=O)N(N(C)C)C=2C=C(C#CC(C)(C)C)SC2C(=O)O

1 reference

CHEMBL2041670 (English)

InChI=1S/C21H30N2O3S/c1-14-7-9-15(10-8-14)19(24)23(22(5)6)17-13-16(11-12-21(2,3)4)27-18(17)20(25)26/h13-15H,7-10H2,1-6H3,(H,25,26)/t14-,15-

19 October 2016

Identifiers

InChI

1 reference

CHEMBL2041670 (English)

LATMUSXHHVOIII-SHTZXODSSA-N

19 October 2016

InChIKey

1 reference

CHEMBL2041670 (English)

19 October 2016

1 reference

5-(3,3-Dimethyl-1-butyn-1-yl)-3-{2,2-dimethyl-1-[(trans-4-methylcyclohexyl)carbonyl]hydrazino}-2-thiophenecarboxylic acid (English)

19 October 2016

1 reference

CHEMBL2041670 (English)

19 October 2016

0 references

1 reference

4EO8 (English)