9TR

N6-{[(3-azidophenyl)methoxy]carbonyl}-L-lysine

Created:	2018-07-31
Last modified:	2019-04-17

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1 entries where 9TR is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	1
Bond Count	42
Aromatic Bond Count	6

2D diagram of 9TR

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Chemical Component Summary
Name	N6-{[(3-azidophenyl)methoxy]carbonyl}-L-lysine
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-azanyl-6-[(3-azidophenyl)methoxycarbonylamino]hexanoic acid
Formula	C₁₄ H₁₉ N₅ O₄
Molecular Weight	321.332
Type	PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(COC(NCCCCC(C(=O)O)N)=O)cc(ccc1)N=[N+]=[N-]
SMILES	CACTVS	3.385	N[CH](CCCCNC(=O)OCc1cccc(c1)N=[N+]=[N-])C(O)=O
SMILES	OpenEye OEToolkits	2.0.6	c1cc(cc(c1)N=[N+]=[N-])COC(=O)NCCCCC(C(=O)O)N
Canonical SMILES	CACTVS	3.385	N[C@@H](CCCCNC(=O)OCc1cccc(c1)N=[N+]=[N-])C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(cc(c1)N=[N+]=[N-])COC(=O)NCCCC[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C14H19N5O4/c15-12(13(20)21)6-1-2-7-17-14(22)23-9-10-4-3-5-11(8-10)18-19-16/h3-5,8,12H,1-2,6-7,9,15H2,(H,17,22)(H,20,21)/t12-/m0/s1
InChIKey	InChI	1.03	HFCHIMDWTVTIEA-LBPRGKRZSA-N

Related Resource References

Resource Name	Reference
PubChem	126611494

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.