XOK

(2~{S})-2-azanyl-6-[[(6~{S})-6-sulfanyloctanoyl]amino]hexanoic acid

Created:	2015-11-24
Last modified:	2024-09-27

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1 entries where XOK is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	2
Bond Count	47
Aromatic Bond Count	0

2D diagram of XOK

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Chemical Component Summary
Name	(2~{S})-2-azanyl-6-[[(6~{S})-6-sulfanyloctanoyl]amino]hexanoic acid
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-azanyl-6-[[(6~{S})-6-sulfanyloctanoyl]amino]hexanoic acid
Formula	C₁₄ H₂₈ N₂ O₃ S
Molecular Weight	304.449
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC[CH](S)CCCCC(=O)NCCCC[CH](N)C(O)=O
SMILES	OpenEye OEToolkits	2.0.4	CCC(CCCCC(=O)NCCCCC(C(=O)O)N)S
Canonical SMILES	CACTVS	3.385	CC[C@H](S)CCCCC(=O)NCCCC[C@H](N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.4	CC[C@@H](CCCCC(=O)NCCCC[C@@H](C(=O)O)N)S
InChI	InChI	1.03	InChI=1S/C14H28N2O3S/c1-2-11(20)7-3-4-9-13(17)16-10-6-5-8-12(15)14(18)19/h11-12,20H,2-10,15H2,1H3,(H,16,17)(H,18,19)/t11-,12-/m0/s1
InChIKey	InChI	1.03	BDYMSDKXXDEVFL-RYUDHWBXSA-N

Related Resource References

Resource Name	Reference
PubChem	137350168

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