6K8

N-(benzenecarbonyl)glycyl-L-arginine

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

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Chemical Details

Formal Charge0
Atom Count45
Chiral Atom Count1
Bond Count45
Aromatic Bond Count6
2D diagram of 6K8

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Chemical Component Summary

NameN-(benzenecarbonyl)glycyl-L-arginine
Systematic Name (OpenEye OEToolkits)(2~{S})-2-(2-benzamidoethanoylamino)-5-carbamimidamido-pentanoic acid
FormulaC15 H21 N5 O4
Molecular Weight335.358
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N/C(NCCCC(NC(=O)CNC(c1ccccc1)=O)C(O)=O)=N
SMILESCACTVS3.385NC(=N)NCCC[CH](NC(=O)CNC(=O)c1ccccc1)C(O)=O
SMILESOpenEye OEToolkits2.0.4c1ccc(cc1)C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)O
Canonical SMILESCACTVS3.385 NC(=N)NCCC[C@H](NC(=O)CNC(=O)c1ccccc1)C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.4 [H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)CNC(=O)c1ccccc1
InChIInChI1.03 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
InChIKeyInChI1.03 GFLCPYUSPYXNBV-NSHDSACASA-N

Related Resource References

Resource NameReference
PubChem 6560242, 96815