LVO

5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-9-O-octanoyl-D-glycero-D-galacto-non-2-enonic acid

Created:	2011-09-07
Last modified:	2020-07-17

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2 entries where LVO is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	69
Chiral Atom Count	5
Bond Count	69
Aromatic Bond Count	0

2D diagram of LVO

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Chemical Component Summary
Name	5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-9-O-octanoyl-D-glycero-D-galacto-non-2-enonic acid
Synonyms	5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-9-O-octanoyl-D-glycero-D-galacto-non-2-enonic acid; Laninamivir octanoate
Systematic Name (OpenEye OEToolkits)	(2R,3R,4S)-3-acetamido-4-carbamimidamido-2-[(1R,2R)-1-methoxy-3-octanoyloxy-2-oxidanyl-propyl]-3,4-dihydro-2H-pyran-6-c arboxylic acid
Formula	C₂₁ H₃₆ N₄ O₈
Molecular Weight	472.533
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(OCC(O)C(OC)C1OC(=CC(NC(=[N@H])N)C1NC(=O)C)C(=O)O)CCCCCCC
SMILES	CACTVS	3.370	CCCCCCCC(=O)OC[CH](O)[CH](OC)[CH]1OC(=C[CH](NC(N)=N)[CH]1NC(C)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.7.2	CCCCCCCC(=O)OCC(C(C1C(C(C=C(O1)C(=O)O)NC(=N)N)NC(=O)C)OC)O
Canonical SMILES	CACTVS	3.370	CCCCCCCC(=O)OC[C@@H](O)[C@@H](OC)[C@@H]1OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.2	[H]/N=C(\N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](COC(=O)CCCCCCC)O)OC)C(=O)O
InChI	InChI	1.03	InChI=1S/C21H36N4O8/c1-4-5-6-7-8-9-16(28)32-11-14(27)18(31-3)19-17(24-12(2)26)13(25-21(22)23)10-15(33-19)20(29)30/h10,13-14,17-19,27H,4-9,11H2,1-3H3,(H,24,26)(H,29,30)(H4,22,23,25)/t13-,14+,17+,18+,19+/m0/s1
InChIKey	InChI	1.03	UKTIJASCFRNWCB-RMIBSVFLSA-N

Drug Info: DrugBank

DrugBank ID	DB11888
Name	Laninamivir octanoate
Groups	investigational
Description	Laninamivir octanoate has been used in trials studying the treatment of Asthma.
Synonyms	Laninamivir octanoate
Categories	Acids, Acyclic Amidines Amino Sugars Anti-Infective Agents Antiviral Agents Carbohydrates Guanidines Hydroxy Acids Neuraminic Acids Neuraminidase, antagonists & inhibitors Pyrans Sialic Acids Sugar Acids
CAS number	203120-46-1

Related Resource References

Resource Name	Reference
PubChem	9847629
ChEMBL	CHEMBL467058
ChEBI	CHEBI:134741

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.