2YJ

N~5~-D-lysyl-L-ornithine

Created:	2014-04-14
Last modified:	2014-04-23

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1 entries where 2YJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	2
Bond Count	41
Aromatic Bond Count	0

2D diagram of 2YJ

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Chemical Component Summary
Name	N~5~-D-lysyl-L-ornithine
Systematic Name (OpenEye OEToolkits)	(2S)-2-azanyl-5-[[(2R)-2,6-bis(azanyl)hexanoyl]amino]pentanoic acid
Formula	C₁₁ H₂₄ N₄ O₃
Molecular Weight	260.333
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(N)CCCNC(=O)C(N)CCCCN
SMILES	CACTVS	3.385	NCCCC[CH](N)C(=O)NCCC[CH](N)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	C(CCN)CC(C(=O)NCCCC(C(=O)O)N)N
Canonical SMILES	CACTVS	3.385	NCCCC[C@@H](N)C(=O)NCCC[C@H](N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C(CCN)C[C@H](C(=O)NCCC[C@@H](C(=O)O)N)N
InChI	InChI	1.03	InChI=1S/C11H24N4O3/c12-6-2-1-4-8(13)10(16)15-7-3-5-9(14)11(17)18/h8-9H,1-7,12-14H2,(H,15,16)(H,17,18)/t8-,9+/m1/s1
InChIKey	InChI	1.03	IIZZYHGWMHUAMZ-BDAKNGLRSA-N

Related Resource References

Resource Name	Reference
PubChem	73659216

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