GHL

(2~{R})-~{N}-(2,2-dimethylpropyl)-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]piperazine-2-carboxamide

Created:2022-02-03
Last modified:  2022-09-28

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Chemical Details

Formal Charge0
Atom Count63
Chiral Atom Count1
Bond Count65
Aromatic Bond Count10
2D diagram of GHL
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Chemical Component Summary

Name(2~{R})-~{N}-(2,2-dimethylpropyl)-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]piperazine-2-carboxamide
Systematic Name (OpenEye OEToolkits)(2~{R})-~{N}-(2,2-dimethylpropyl)-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]piperazine-2-carboxamide
FormulaC22 H33 N5 O2 S
Molecular Weight431.595
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNC[CH]3C(=O)NCC(C)(C)C
SMILESOpenEye OEToolkits2.0.7CCc1c(c([nH]c1c2csc(n2)N3CCNCC3C(=O)NCC(C)(C)C)C)C(=O)C
Canonical SMILESCACTVS3.385 CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNC[C@@H]3C(=O)NCC(C)(C)C
Canonical SMILESOpenEye OEToolkits2.0.7 CCc1c(c([nH]c1c2csc(n2)N3CCNC[C@@H]3C(=O)NCC(C)(C)C)C)C(=O)C
InChIInChI1.06 InChI=1S/C22H33N5O2S/c1-7-15-18(14(3)28)13(2)25-19(15)16-11-30-21(26-16)27-9-8-23-10-17(27)20(29)24-12-22(4,5)6/h11,17,23,25H,7-10,12H2,1-6H3,(H,24,29)/t17-/m1/s1
InChIKeyInChI1.06 BIQUDHDFGPBAHX-QGZVFWFLSA-N

Related Resource References

Resource NameReference
PubChem 165111560