I11

[[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-4-YL-AMINOMETHYL]ALANYL]PIPERIDINE

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Chemical Component Summary
Name	[[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-4-YL-AMINOMETHYL]ALANYL]PIPERIDINE
Identifiers	2-(cyclohexylsulfonylamino)-N-[(2R)-1-oxo-1-piperidin-1-yl-4-(pyridin-1-ium-4-ylamino)butan-2-yl]ethanamide
Formula	C₂₂ H₃₆ N₅ O₄ S
Molecular Weight	466.617
Type	NON-POLYMER
Isomeric SMILES	c1c[nH+]ccc1NCC[C@H](C(=O)N2CCCCC2)NC(=O)CNS(=O)(=O)C3CCCCC3
InChI	InChI=1S/C22H35N5O4S/c28-21(17-25-32(30,31)19-7-3-1-4-8-19)26-20(22(29)27-15-5-2-6-16-27)11-14-24-18-9-12-23-13-10-18/h9-10,12-13,19-20,25H,1-8,11,14-17H2,(H,23,24)(H,26,28)/p+1/t20-/m1/s1
InChIKey	KMUXFASJKPVMGU-HXUWFJFHSA-O

Chemical Details
Formal Charge	1
Atom Count	68
Chiral Atom Count	1
Bond Count	70
Aromatic Bond Count	6

Drug Info: DrugBank

DrugBank ID	DB07934
Name	[[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-4-YL-AMINOMETHYL]ALANYL]PIPERIDINE
Groups	experimental
Synonyms	[[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-4-YL-AMINOMETHYL]ALANYL]PIPERIDINE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Prothrombin	MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEE...	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