AR5

N~2~-(tert-butoxycarbonyl)-L-arginine

Created:	2016-03-30
Last modified:	2017-04-05

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1 entries where AR5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	1
Bond Count	40
Aromatic Bond Count	0

2D diagram of AR5

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Chemical Component Summary
Name	N~2~-(tert-butoxycarbonyl)-L-arginine
Systematic Name (OpenEye OEToolkits)	(2~{S})-5-carbamimidamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Formula	C₁₁ H₂₂ N₄ O₄
Molecular Weight	274.317
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NC(CCCN\C(=N)N)C(=O)O)OC(C)(C)C
SMILES	CACTVS	3.385	CC(C)(C)OC(=O)N[CH](CCCNC(N)=N)C(O)=O
SMILES	OpenEye OEToolkits	2.0.4	CC(C)(C)OC(=O)NC(CCCNC(=N)N)C(=O)O
Canonical SMILES	CACTVS	3.385	CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.4	[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
InChI	InChI	1.03	InChI=1S/C11H22N4O4/c1-11(2,3)19-10(18)15-7(8(16)17)5-4-6-14-9(12)13/h7H,4-6H2,1-3H3,(H,15,18)(H,16,17)(H4,12,13,14)/t7-/m0/s1
InChIKey	InChI	1.03	HSQIYOPBCOPMSS-ZETCQYMHSA-N

Related Resource References

Resource Name	Reference
PubChem	6992570, 114667
ChEMBL	CHEMBL1229088

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