2KP

N~6~-(4-bromobenzoyl)-L-lysine

Created:	2013-11-21
Last modified:	2024-09-27

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1 entries where 2KP is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	1
Bond Count	36
Aromatic Bond Count	6

2D diagram of 2KP

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Chemical Component Summary
Name	N~6~-(4-bromobenzoyl)-L-lysine
Systematic Name (OpenEye OEToolkits)	(2S)-2-azanyl-6-[(4-bromophenyl)carbonylamino]hexanoic acid
Formula	C₁₃ H₁₇ Br N₂ O₃
Molecular Weight	329.19
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c1ccc(Br)cc1)NCCCCC(C(=O)O)N
SMILES	CACTVS	3.385	N[CH](CCCCNC(=O)c1ccc(Br)cc1)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1C(=O)NCCCCC(C(=O)O)N)Br
Canonical SMILES	CACTVS	3.385	N[C@@H](CCCCNC(=O)c1ccc(Br)cc1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)N)Br
InChI	InChI	1.03	InChI=1S/C13H17BrN2O3/c14-10-6-4-9(5-7-10)12(17)16-8-2-1-3-11(15)13(18)19/h4-7,11H,1-3,8,15H2,(H,16,17)(H,18,19)/t11-/m0/s1
InChIKey	InChI	1.03	VZGABVAOPKKDKB-NSHDSACASA-N

Related Resource References

Resource Name	Reference
PubChem	137348059

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