JJT

(2~{S})-5-azanylidene-2-(piperidin-4-ylcarbamoyl)piperidine-1-carboxylic acid

Created:	2019-03-06
Last modified:	2024-09-27

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3 entries where JJT is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	1
Bond Count	40
Aromatic Bond Count	0

2D diagram of JJT

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Chemical Component Summary
Name	(2~{S})-5-azanylidene-2-(piperidin-4-ylcarbamoyl)piperidine-1-carboxylic acid
Systematic Name (OpenEye OEToolkits)	(2~{S})-5-azanylidene-2-(piperidin-4-ylcarbamoyl)piperidine-1-carboxylic acid
Formula	C₁₂ H₂₀ N₄ O₃
Molecular Weight	268.312
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)N1CC(=N)CC[CH]1C(=O)NC2CCNCC2
SMILES	OpenEye OEToolkits	2.0.7	C1CC(=N)CN(C1C(=O)NC2CCNCC2)C(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)N1CC(=N)CC[C@H]1C(=O)NC2CCNCC2
Canonical SMILES	OpenEye OEToolkits	2.0.7	C1CC(=N)CN([C@@H]1C(=O)NC2CCNCC2)C(=O)O
InChI	InChI	1.03	InChI=1S/C12H20N4O3/c13-8-1-2-10(16(7-8)12(18)19)11(17)15-9-3-5-14-6-4-9/h9-10,13-14H,1-7H2,(H,15,17)(H,18,19)/t10-/m0/s1
InChIKey	InChI	1.03	ANYQJLWLEZXFBO-JTQLQIEISA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.