GHE

(2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxidanylidene-hexanoyl]pyrrolidine-2-carboxylic acid

Created:	2012-05-29
Last modified:	2014-09-05

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2 entries where GHE is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	2
Bond Count	49
Aromatic Bond Count	0

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Chemical Component Summary
Name	(2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxidanylidene-hexanoyl]pyrrolidine-2-carboxylic acid
Systematic Name (OpenEye OEToolkits)	(2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxidanylidene-hexanoyl]pyrrolidine-2-carboxylic acid
Formula	C₁₆ H₂₄ N₂ O₆
Molecular Weight	340.372
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(N1C(C(=O)O)CCC1)CCCCC(=O)N2C(C(=O)O)CCC2
SMILES	CACTVS	3.385	OC(=O)[CH]1CCCN1C(=O)CCCCC(=O)N2CCC[CH]2C(O)=O
SMILES	OpenEye OEToolkits	1.9.2	C1CC(N(C1)C(=O)CCCCC(=O)N2CCCC2C(=O)O)C(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)[C@H]1CCCN1C(=O)CCCCC(=O)N2CCC[C@@H]2C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.9.2	C1C[C@@H](N(C1)C(=O)CCCCC(=O)N2CCC[C@@H]2C(=O)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C16H24N2O6/c19-13(17-9-3-5-11(17)15(21)22)7-1-2-8-14(20)18-10-4-6-12(18)16(23)24/h11-12H,1-10H2,(H,21,22)(H,23,24)/t11-,12-/m1/s1
InChIKey	InChI	1.03	HZLAWYIBLZNRFZ-VXGBXAGGSA-N

Drug Info: DrugBank

DrugBank ID	DB13087
Name	Miridesap
Groups	investigational
Description	Miridesap has been used in trials studying the prevention of HIV and treatment of AL amyloidosis.
Synonyms	CPHPC Miridesap 1,1'-hexanedioyldi-D-proline
CAS number	224624-80-0

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Serum amyloid P-component	MNKPLLWISVLTSLLEAFAHTDLSGKVFVFPRESVTDHVNLITPLEKPLQ...	unknown	modulator

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