XC0

(2S)-2-aminooctanoic acid

Created:	2022-11-10
Last modified:	2024-09-27

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1 entries where XC0 is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	1
Bond Count	27
Aromatic Bond Count	0

2D diagram of XC0

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Chemical Component Summary
Name	(2S)-2-aminooctanoic acid
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-azanyloctanoic acid
Formula	C₈ H₁₇ N O₂
Molecular Weight	159.226
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	NC(CCCCCC)C(=O)O
SMILES	CACTVS	3.385	CCCCCC[CH](N)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	CCCCCCC(C(=O)O)N
Canonical SMILES	CACTVS	3.385	CCCCCC[C@H](N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCCCCC[C@@H](C(=O)O)N
InChI	InChI	1.06	InChI=1S/C8H17NO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)/t7-/m0/s1
InChIKey	InChI	1.06	AKVBCGQVQXPRLD-ZETCQYMHSA-N

Related Resource References

Resource Name	Reference
PubChem	1549364, 1549365

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