AQK

(2~{S})-5-azanyl-2-(2-hydroxy-2-oxoethylamino)pentanoic acid

Created:	2017-08-22
Last modified:	2017-12-20

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1 entries where AQK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	1
Bond Count	26
Aromatic Bond Count	0

2D diagram of AQK

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Chemical Component Summary
Name	(2~{S})-5-azanyl-2-(2-hydroxy-2-oxoethylamino)pentanoic acid
Systematic Name (OpenEye OEToolkits)	(2~{S})-5-azanyl-2-(2-hydroxy-2-oxoethylamino)pentanoic acid
Formula	C₇ H₁₄ N₂ O₄
Molecular Weight	190.197
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NCCC[CH](NCC(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	2.0.6	C(CC(C(=O)O)NCC(=O)O)CN
Canonical SMILES	CACTVS	3.385	NCCC[C@H](NCC(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	C(C[C@@H](C(=O)O)NCC(=O)O)CN
InChI	InChI	1.03	InChI=1S/C7H14N2O4/c8-3-1-2-5(7(12)13)9-4-6(10)11/h5,9H,1-4,8H2,(H,10,11)(H,12,13)/t5-/m0/s1
InChIKey	InChI	1.03	YVSBHPGVGNJMHM-YFKPBYRVSA-N

Related Resource References

Resource Name	Reference
PubChem	22810356

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