6K8

N-(benzenecarbonyl)glycyl-L-arginine

Created:	2016-04-21
Last modified:	2017-05-24

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1 entries where 6K8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	1
Bond Count	45
Aromatic Bond Count	6

2D diagram of 6K8

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Chemical Component Summary
Name	N-(benzenecarbonyl)glycyl-L-arginine
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-(2-benzamidoethanoylamino)-5-carbamimidamido-pentanoic acid
Formula	C₁₅ H₂₁ N₅ O₄
Molecular Weight	335.358
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N/C(NCCCC(NC(=O)CNC(c1ccccc1)=O)C(O)=O)=N
SMILES	CACTVS	3.385	NC(=N)NCCC[CH](NC(=O)CNC(=O)c1ccccc1)C(O)=O
SMILES	OpenEye OEToolkits	2.0.4	c1ccc(cc1)C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)O
Canonical SMILES	CACTVS	3.385	NC(=N)NCCC[C@H](NC(=O)CNC(=O)c1ccccc1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.4	[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)CNC(=O)c1ccccc1
InChI	InChI	1.03	InChI=1S/C15H21N5O4/c16-15(17)18-8-4-7-11(14(23)24)20-12(21)9-19-13(22)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,19,22)(H,20,21)(H,23,24)(H4,16,17,18)/t11-/m0/s1
InChIKey	InChI	1.03	GFLCPYUSPYXNBV-NSHDSACASA-N

Related Resource References

Resource Name	Reference
PubChem	6560242, 96815

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.