G7H

(2~{R})-~{N}-[4-ethanoyl-5-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide

Created:	2018-08-29
Last modified:	2019-02-20

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1 entries where G7H is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	52
Chiral Atom Count	1
Bond Count	55
Aromatic Bond Count	11

2D diagram of G7H

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Chemical Component Summary
Name	(2~{R})-~{N}-[4-ethanoyl-5-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide
Systematic Name (OpenEye OEToolkits)	(2~{R})-~{N}-[4-ethanoyl-5-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide
Formula	C₂₀ H₂₃ N₅ O₃ S
Molecular Weight	413.493
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(=O)c1nc(NC(=O)[CH]2CNCCN2)sc1c3ccc(cc3)N4CCCC4=O
SMILES	OpenEye OEToolkits	2.0.6	CC(=O)c1c(sc(n1)NC(=O)C2CNCCN2)c3ccc(cc3)N4CCCC4=O
Canonical SMILES	CACTVS	3.385	CC(=O)c1nc(NC(=O)[C@H]2CNCCN2)sc1c3ccc(cc3)N4CCCC4=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC(=O)c1c(sc(n1)NC(=O)[C@H]2CNCCN2)c3ccc(cc3)N4CCCC4=O
InChI	InChI	1.03	InChI=1S/C20H23N5O3S/c1-12(26)17-18(13-4-6-14(7-5-13)25-10-2-3-16(25)27)29-20(23-17)24-19(28)15-11-21-8-9-22-15/h4-7,15,21-22H,2-3,8-11H2,1H3,(H,23,24,28)/t15-/m1/s1
InChIKey	InChI	1.03	OKMNIGWEMMUEAF-OAHLLOKOSA-N

Related Resource References

Resource Name	Reference
PubChem	137332103

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.