9UC

N6-{[(4-nitrophenyl)methoxy]carbonyl}-L-lysine

Created:	2018-08-01
Last modified:	2019-04-17

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1 entries where 9UC 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 9UC

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Chemical Component Summary
Name	N6-{[(4-nitrophenyl)methoxy]carbonyl}-L-lysine
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-azanyl-6-[(4-nitrophenyl)methoxycarbonylamino]hexanoic acid
Formula	C₁₄ H₁₉ N₃ O₆
Molecular Weight	325.317
Type	PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(COC(=O)NCCCCC(C(O)=O)N)ccc(cc1)[N+]([O-])=O
SMILES	CACTVS	3.385	N[CH](CCCCNC(=O)OCc1ccc(cc1)[N+]([O-])=O)C(O)=O
SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1COC(=O)NCCCCC(C(=O)O)N)[N+](=O)[O-]
Canonical SMILES	CACTVS	3.385	N[C@@H](CCCCNC(=O)OCc1ccc(cc1)[N+]([O-])=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1COC(=O)NCCCC[C@@H](C(=O)O)N)[N+](=O)[O-]
InChI	InChI	1.03	InChI=1S/C14H19N3O6/c15-12(13(18)19)3-1-2-8-16-14(20)23-9-10-4-6-11(7-5-10)17(21)22/h4-7,12H,1-3,8-9,15H2,(H,16,20)(H,18,19)/t12-/m0/s1
InChIKey	InChI	1.03	XMTCOKGMBIHVBJ-LBPRGKRZSA-N

Related Resource References

Resource Name	Reference
PubChem	40428352, 11244255

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.