VPU

[[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(pentanoylamino)oxan-2-ylidene]amino] N-phenylcarbamate

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is present as a standalone ligand in 1 entries

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Chemical Component Summary
Name	[[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(pentanoylamino)oxan-2-ylidene]amino] N-phenylcarbamate
Synonyms	N-Valeryl-PUGNAc
Identifiers	[[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(pentanoylamino)oxan-2-ylidene]amino] N-phenylcarbamate
Formula	C₁₈ H₂₅ N₃ O₇
Molecular Weight	395.407
Type	NON-POLYMER
Isomeric SMILES	CCCCC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O
InChI	InChI=1S/C18H25N3O7/c1-2-3-9-13(23)20-14-16(25)15(24)12(10-22)27-17(14)21-28-18(26)19-11-7-5-4-6-8-11/h4-8,12,14-16,22,24-25H,2-3,9-10H2,1H3,(H,19,26)(H,20,23)/b21-17-/t12-,14-,15-,16-/m1/s1
InChIKey	NUNQIQQEEPOGDJ-JDOAOKHLSA-N

Chemical Details
Formal Charge	0
Atom Count	53
Chiral Atom Count	4
Bond Count	54
Aromatic Bond Count	6

Drug Info: DrugBank

DrugBank ID	DB08704
Name	[[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(pentanoylamino)oxan-2-ylidene]amino] N-phenylcarbamate
Groups	experimental
Synonyms	[[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(pentanoylamino)oxan-2-ylidene]amino] N-phenylcarbamate

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Beta-hexosaminidase	MGPLWLDVAGYELSAEDREILQHPTVGGVILFGRNYHDNQQLLALNKAIR...	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