LNV

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

Created:	2011-09-01
Last modified:	2020-07-17

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7 entries where LNV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	5
Bond Count	46
Aromatic Bond Count	0

2D diagram of LNV

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Chemical Component Summary
Name	5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid
Synonyms	5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid; Laninamivir
Systematic Name (OpenEye OEToolkits)	(2R,3R,4S)-3-acetamido-4-carbamimidamido-2-[(1R,2R)-1-methoxy-2,3-bis(oxidanyl)propyl]-3,4-dihydro-2H-pyran-6-carboxyli c acid
Formula	C₁₃ H₂₂ N₄ O₇
Molecular Weight	346.336
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C=1OC(C(OC)C(O)CO)C(NC(=O)C)C(C=1)NC(=[N@H])N
SMILES	CACTVS	3.370	CO[CH]([CH](O)CO)[CH]1OC(=C[CH](NC(N)=N)[CH]1NC(C)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.7.2	CC(=O)NC1C(C=C(OC1C(C(CO)O)OC)C(=O)O)NC(=N)N
Canonical SMILES	CACTVS	3.370	CO[C@H]([C@H](O)CO)[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](CO)O)OC)C(=O)O
InChI	InChI	1.03	InChI=1S/C13H22N4O7/c1-5(19)16-9-6(17-13(14)15)3-8(12(21)22)24-11(9)10(23-2)7(20)4-18/h3,6-7,9-11,18,20H,4H2,1-2H3,(H,16,19)(H,21,22)(H4,14,15,17)/t6-,7+,9+,10+,11+/m0/s1
InChIKey	InChI	1.03	QNRRHYPPQFELSF-CNYIRLTGSA-N

Drug Info: DrugBank

DrugBank ID	DB12791
Name	Laninamivir
Groups	investigational
Description	Laninamivir has been used in trials studying the treatment of Influenza.
Synonyms	Laninamivir Laninamivirum
Categories	Acids, Acyclic Amidines Amino Sugars Anti-Infective Agents Antiinfectives for Systemic Use Antiviral Agents Antivirals for Systemic Use Carbohydrates Direct Acting Antivirals Hydroxy Acids Neuraminic Acids Neuraminidase Inhibitors Neuraminidase, antagonists & inhibitors Sugar Acids
ATC-Code	J05AH04
CAS number	203120-17-6

Related Resource References

Resource Name	Reference
PubChem	502272
ChEMBL	CHEMBL466246

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.