AQQ

(2~{S})-5-azanyl-2-[[(2~{R})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]pentanoic acid

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

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1 entries where AQQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	2
Bond Count	29
Aromatic Bond Count	0

2D diagram of AQQ

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Chemical Component Summary
Name	(2~{S})-5-azanyl-2-[[(2~{R})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]pentanoic acid
Systematic Name (OpenEye OEToolkits)	(2~{S})-5-azanyl-2-[[(2~{R})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]pentanoic acid
Formula	C₈ H₁₆ N₂ O₄
Molecular Weight	204.224
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[CH](N[CH](CCCN)C(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	2.0.6	CC(C(=O)O)NC(CCCN)C(=O)O
Canonical SMILES	CACTVS	3.385	C[C@@H](N[C@@H](CCCN)C(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	C[C@H](C(=O)O)N[C@@H](CCCN)C(=O)O
InChI	InChI	1.03	InChI=1S/C8H16N2O4/c1-5(7(11)12)10-6(8(13)14)3-2-4-9/h5-6,10H,2-4,9H2,1H3,(H,11,12)(H,13,14)/t5-,6+/m1/s1
InChIKey	InChI	1.03	ZQKXJZFWRBQTIO-RITPCOANSA-N

Related Resource References

Resource Name	Reference
PubChem	13748388

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