GKX

(2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid

Created:	2020-09-04
Last modified:	2021-09-08

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4 entries where GKX is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	53
Chiral Atom Count	1
Bond Count	54
Aromatic Bond Count	6

2D diagram of GKX

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Chemical Component Summary
Name	(2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid
Formula	C₂₀ H₂₉ N O₃
Molecular Weight	331.449
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)[CH](Cc1ccccc1)NC(=O)CCCCC2CCCCC2
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)CC(C(=O)O)NC(=O)CCCCC2CCCCC2
Canonical SMILES	CACTVS	3.385	OC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCC2CCCCC2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CCCCC2CCCCC2
InChI	InChI	1.03	InChI=1S/C20H29NO3/c22-19(14-8-7-11-16-9-3-1-4-10-16)21-18(20(23)24)15-17-12-5-2-6-13-17/h2,5-6,12-13,16,18H,1,3-4,7-11,14-15H2,(H,21,22)(H,23,24)/t18-/m0/s1
InChIKey	InChI	1.03	HMRCCMCZAAWOCJ-SFHVURJKSA-N

Related Resource References

Resource Name	Reference
PubChem	156595817

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