G2K

2-{(2S)-1-[(2-chlorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide

Created:	2017-07-11
Last modified:	2021-03-01

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1 entries where G2K is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	60
Chiral Atom Count	1
Bond Count	63
Aromatic Bond Count	12

2D diagram of G2K

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Chemical Component Summary
Name	2-{(2S)-1-[(2-chlorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide
Synonyms	SRI-29843
Systematic Name (OpenEye OEToolkits)	2-[(2~{S})-1-[2-(2-chloranylphenoxy)ethanoyl]pyrrolidin-2-yl]-5-oxidanyl-6-oxidanylidene-~{N}-(2-phenylethyl)-1~{H}-pyrimidine-4-carboxamide
Formula	C₂₅ H₂₅ Cl N₄ O₅
Molecular Weight	496.943
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C2(=O)C(O)=C(C(=O)NCCc1ccccc1)N=C(N2)C3CCCN3C(COc4ccccc4Cl)=O
SMILES	CACTVS	3.385	OC1=C(N=C(NC1=O)[CH]2CCCN2C(=O)COc3ccccc3Cl)C(=O)NCCc4ccccc4
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)CCNC(=O)C2=C(C(=O)NC(=N2)C3CCCN3C(=O)COc4ccccc4Cl)O
Canonical SMILES	CACTVS	3.385	OC1=C(N=C(NC1=O)[C@@H]2CCCN2C(=O)COc3ccccc3Cl)C(=O)NCCc4ccccc4
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)CCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)COc4ccccc4Cl)O
InChI	InChI	1.03	InChI=1S/C25H25ClN4O5/c26-17-9-4-5-11-19(17)35-15-20(31)30-14-6-10-18(30)23-28-21(22(32)25(34)29-23)24(33)27-13-12-16-7-2-1-3-8-16/h1-5,7-9,11,18,32H,6,10,12-15H2,(H,27,33)(H,28,29,34)/t18-/m0/s1
InChIKey	InChI	1.03	RIAIEKGLLQXVDJ-SFHVURJKSA-N

Related Resource References

Resource Name	Reference
PubChem	131953463, 135567356

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