HEP

PHENYL[1-(N-SUCCINYLAMINO)PENTYL]PHOSPHONATE

Created:	1999-07-08
Last modified:	2011-06-04

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2 entries where HEP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	2
Bond Count	45
Aromatic Bond Count	6

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Chemical Component Summary
Name	PHENYL[1-(N-SUCCINYLAMINO)PENTYL]PHOSPHONATE
Systematic Name (OpenEye OEToolkits)	4-[[(1R)-1-(hydroxy-phenoxy-phosphoryl)pentyl]amino]-4-oxo-butanoic acid
Formula	C₁₅ H₂₂ N O₆ P
Molecular Weight	343.312
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(Oc1ccccc1)(O)C(NC(=O)CCC(=O)O)CCCC
SMILES	CACTVS	3.341	CCCC[CH](NC(=O)CCC(O)=O)[P](O)(=O)Oc1ccccc1
SMILES	OpenEye OEToolkits	1.5.0	CCCCC(NC(=O)CCC(=O)O)P(=O)(O)Oc1ccccc1
Canonical SMILES	CACTVS	3.341	CCCC[C@H](NC(=O)CCC(O)=O)[P@](O)(=O)Oc1ccccc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCC[C@H](NC(=O)CCC(=O)O)[P@@](=O)(O)Oc1ccccc1
InChI	InChI	1.03	InChI=1S/C15H22NO6P/c1-2-3-9-14(16-13(17)10-11-15(18)19)23(20,21)22-12-7-5-4-6-8-12/h4-8,14H,2-3,9-11H2,1H3,(H,16,17)(H,18,19)(H,20,21)/t14-/m1/s1
InChIKey	InChI	1.03	FJQWWGCHPFSERW-CQSZACIVSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB07893
Name	PHENYL[1-(N-SUCCINYLAMINO)PENTYL]PHOSPHONATE
Groups	experimental
Synonyms	PHENYL[1-(N-SUCCINYLAMINO)PENTYL]PHOSPHONATE

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Immunoglobulin kappa constant	RTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSG...	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