AQ7

N-[(3R)-1-propanoylpiperidine-3-carbonyl]-L-alanine

Created:	2017-07-21
Last modified:	2024-09-27

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1 entries where AQ7 is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	2
Bond Count	38
Aromatic Bond Count	0

2D diagram of AQ7

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Chemical Component Summary
Name	N-[(3R)-1-propanoylpiperidine-3-carbonyl]-L-alanine
Synonyms	N-[(3R)-1-acryloylpiperidine-3-carbonyl]-L-alanine, bound form
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-[[(3~{R})-1-propanoylpiperidin-3-yl]carbonylamino]propanoic acid
Formula	C₁₂ H₂₀ N₂ O₄
Molecular Weight	256.298
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(=O)(CC)N1CC(C(NC(C)C(=O)O)=O)CCC1
SMILES	CACTVS	3.385	CCC(=O)N1CCC[CH](C1)C(=O)N[CH](C)C(O)=O
SMILES	OpenEye OEToolkits	2.0.6	CCC(=O)N1CCCC(C1)C(=O)NC(C)C(=O)O
Canonical SMILES	CACTVS	3.385	CCC(=O)N1CCC[C@H](C1)C(=O)N[C@@H](C)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCC(=O)N1CCC[C@H](C1)C(=O)N[C@@H](C)C(=O)O
InChI	InChI	1.03	InChI=1S/C12H20N2O4/c1-3-10(15)14-6-4-5-9(7-14)11(16)13-8(2)12(17)18/h8-9H,3-7H2,1-2H3,(H,13,16)(H,17,18)/t8-,9+/m0/s1
InChIKey	InChI	1.03	HQZBKHPGGGAOQQ-DTWKUNHWSA-N

Related Resource References

Resource Name	Reference
PubChem	137348939

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