157

6-(2-HYDROXY-CYCLOPENTYL)-7-OXO-HEPTANAMIDINE

Created:	1999-07-08
Last modified:	2024-09-27

Find Related PDB Entry
1 entries where 157 is covalently linked to polymer or other heterogen groups

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	3
Bond Count	38
Aromatic Bond Count	0

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	6-(2-HYDROXY-CYCLOPENTYL)-7-OXO-HEPTANAMIDINE
Synonyms	GR157368
Systematic Name (OpenEye OEToolkits)	(6R)-6-[(1R,2S)-2-hydroxycyclopentyl]-7-oxo-heptanimidamide
Formula	C₁₂ H₂₂ N₂ O₂
Molecular Weight	226.315
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=CC(CCCCC(=[N@H])N)C1CCCC1O
SMILES	CACTVS	3.341	NC(=N)CCCC[CH](C=O)[CH]1CCC[CH]1O
SMILES	OpenEye OEToolkits	1.5.0	C1CC(C(C1)O)C(CCCCC(=N)N)C=O
Canonical SMILES	CACTVS	3.341	NC(=N)CCCC[C@@H](C=O)[C@H]1CCC[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1C[C@@H]([C@H](C1)O)[C@@H](CCCCC(=N)N)C=O
InChI	InChI	1.03	InChI=1S/C12H22N2O2/c13-12(14)7-2-1-4-9(8-15)10-5-3-6-11(10)16/h8-11,16H,1-7H2,(H3,13,14)/t9-,10+,11-/m0/s1
InChIKey	InChI	1.03	FCDJKFJACUMSOZ-AXFHLTTASA-N

Drug Info: DrugBank

DrugBank ID	DB06861
Name	6-(2-HYDROXY-CYCLOPENTYL)-7-OXO-HEPTANAMIDINE
Groups	experimental
Synonyms	6-(2-HYDROXY-CYCLOPENTYL)-7-OXO-HEPTANAMIDINE

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