JLK

(2~{R})-2-[[6-ethyl-5-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid

Created:	2019-03-11
Last modified:	2019-08-07

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1 entries where JLK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	53
Chiral Atom Count	1
Bond Count	56
Aromatic Bond Count	22

2D diagram of JLK

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Chemical Component Summary
Name	(2~{R})-2-[[6-ethyl-5-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid
Systematic Name (OpenEye OEToolkits)	(2~{R})-2-[[6-ethyl-5-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid
Formula	C₂₄ H₂₃ N₃ O₂ S
Molecular Weight	417.523
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCc1sc2ncnc(N[CH](Cc3ccccc3)C(O)=O)c2c1c4ccccc4C
SMILES	OpenEye OEToolkits	2.0.7	CCc1c(c2c(ncnc2s1)NC(Cc3ccccc3)C(=O)O)c4ccccc4C
Canonical SMILES	CACTVS	3.385	CCc1sc2ncnc(N[C@H](Cc3ccccc3)C(O)=O)c2c1c4ccccc4C
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCc1c(c2c(ncnc2s1)N[C@H](Cc3ccccc3)C(=O)O)c4ccccc4C
InChI	InChI	1.03	InChI=1S/C24H23N3O2S/c1-3-19-20(17-12-8-7-9-15(17)2)21-22(25-14-26-23(21)30-19)27-18(24(28)29)13-16-10-5-4-6-11-16/h4-12,14,18H,3,13H2,1-2H3,(H,28,29)(H,25,26,27)/t18-/m1/s1
InChIKey	InChI	1.03	BJYZTAWEBOABQO-GOSISDBHSA-N

Related Resource References

Resource Name	Reference
PubChem	138756814

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