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

2D diagram of GHE

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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

Related Resource References

Resource Name	Reference
PubChem	125516
ChEMBL	CHEMBL25263

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.