NMP

2-[2-(2-CYCLOHEXYL-2-GUANIDINO-ACETYLAMINO)-ACETYLAMINO]-N-(3-MERCAPTO-PROPYL)-PROPIONAMIDE



Chemical Component Summary

Name2-[2-(2-CYCLOHEXYL-2-GUANIDINO-ACETYLAMINO)-ACETYLAMINO]-N-(3-MERCAPTO-PROPYL)-PROPIONAMIDE
Identifiers(2S)-2-[2-[[(2R)-2-carbamimidamido-2-cyclohexyl-ethanoyl]amino]ethanoylamino]-N-(3-sulfanylpropyl)propanamide
FormulaC17 H32 N6 O3 S
Molecular Weight400.539
TypeNON-POLYMER
Isomeric SMILESC[C@@H](C(=O)NCCCS)NC(=O)CNC(=O)[C@@H](C1CCCCC1)NC(=N)N
InChIInChI=1S/C17H32N6O3S/c1-11(15(25)20-8-5-9-27)22-13(24)10-21-16(26)14(23-17(18)19)12-6-3-2-4-7-12/h11-12,14,27H,2-10H2,1H3,(H,20,25)(H,21,26)(H,22,24)(H4,18,19,23)/t11-,14+/m0/s1
InChIKeyYLLNYDDZOMCFDE-SMDDNHRTSA-N

Chemical Details

Formal Charge0
Atom Count59
Chiral Atom Count2
Bond Count59
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB04278 
Name2-[2-(2-Cyclohexyl-2-guanidino-acetylamino)-acetylamino]-N-(3-mercapto-propyl)-propionamide
Groups experimental
Synonyms
  • 2-[2-(2-Cyclohexyl-2-guanidino-acetylamino)-acetylamino]-N-(3-mercapto-propyl)-propionamide
  • N-{(2R)-2-Cyclohexyl-2-[(diaminomethylene)amino]acetyl}glycyl-N-(3-sulfanylpropyl)-L-alaninamide

Drug Targets

NameTarget SequencePharmacological ActionActions
Interleukin-2MYRMQLLSCIALSLALVTNSAPTSSSTKKTQLQLEHLLLDLQMILNGINN...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 5496715