QNY

O-[(3S)-3-amino-3-carboxy-1,1-dihydroxypropyl]-L-threonine

Created:	2019-11-26
Last modified:	2024-09-27

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2 entries where QNY is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	3
Bond Count	32
Aromatic Bond Count	0

2D diagram of QNY

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Chemical Component Summary
Name	O-[(3S)-3-amino-3-carboxy-1,1-dihydroxypropyl]-L-threonine
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-azanyl-4-[(2~{R},3~{S})-3-azanyl-4-oxidanyl-4-oxidanylidene-butan-2-yl]oxy-4,4-bis(oxidanyl)butanoic acid
Formula	C₈ H₁₆ N₂ O₇
Molecular Weight	252.222
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(N)C(OC(CC(C(O)=O)N)(O)O)C
SMILES	CACTVS	3.385	C[CH](OC(O)(O)C[CH](N)C(O)=O)[CH](N)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	CC(C(C(=O)O)N)OC(CC(C(=O)O)N)(O)O
Canonical SMILES	CACTVS	3.385	C[C@@H](OC(O)(O)C[C@H](N)C(O)=O)[C@H](N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@H]([C@@H](C(=O)O)N)OC(C[C@@H](C(=O)O)N)(O)O
InChI	InChI	1.03	InChI=1S/C8H16N2O7/c1-3(5(10)7(13)14)17-8(15,16)2-4(9)6(11)12/h3-5,15-16H,2,9-10H2,1H3,(H,11,12)(H,13,14)/t3-,4+,5+/m1/s1
InChIKey	InChI	1.03	IXNIAZLULGXEOE-WISUUJSJSA-N

Related Resource References

Resource Name	Reference
PubChem	146672983

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