G1K

5-hydroxy-6-oxo-2-[(2S)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxylic acid

Created:	2017-07-11
Last modified:	2020-06-05

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1 entries where G1K is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	1
Bond Count	45
Aromatic Bond Count	6

2D diagram of G1K

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Chemical Component Summary
Name	5-hydroxy-6-oxo-2-[(2S)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxylic acid
Synonyms	SRI-29680
Systematic Name (OpenEye OEToolkits)	5-oxidanyl-6-oxidanylidene-2-[(2~{S})-1-(2-phenoxyethanoyl)pyrrolidin-2-yl]-1~{H}-pyrimidine-4-carboxylic acid
Formula	C₁₇ H₁₇ N₃ O₆
Molecular Weight	359.333
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C3(NC(C2N(C(COc1ccccc1)=O)CCC2)=NC(=C3O)C(O)=O)=O
SMILES	CACTVS	3.385	OC(=O)C1=C(O)C(=O)NC(=N1)[CH]2CCCN2C(=O)COc3ccccc3
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)OCC(=O)N2CCCC2C3=NC(=C(C(=O)N3)O)C(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)C1=C(O)C(=O)NC(=N1)[C@@H]2CCCN2C(=O)COc3ccccc3
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)OCC(=O)N2CCC[C@H]2C3=NC(=C(C(=O)N3)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C17H17N3O6/c21-12(9-26-10-5-2-1-3-6-10)20-8-4-7-11(20)15-18-13(17(24)25)14(22)16(23)19-15/h1-3,5-6,11,22H,4,7-9H2,(H,24,25)(H,18,19,23)/t11-/m0/s1
InChIKey	InChI	1.03	IRLMJLDUWBLXBT-NSHDSACASA-N

Related Resource References

Resource Name	Reference
PubChem	135567357, 131953464

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