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oseltamivir

Properties

Image

Occurences in reactions

MNX_ID

MNXM65878

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₁₆H₂₈N₂O₄

charge

mass

312.20491

reference

InChIKey

VSZGPKBBMSAYNT-RRFJBIMHSA-N

InChI

InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1

SMILES

CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:7798 chebi:7798	oseltamivir (-)-oseltamivir 1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, ethyl ester, (3R-(3alpha,4beta,5alpha))- Agucort Ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate GS-4104 HSDB 7433 Oseltamivir Tamiflu ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate oseltamivirum
sabiork.compound:10194 sabiorkM:10194 seed.compound:cpd05066 seedM:cpd05066 kegg.compound:C08092 keggC:C08092	Oseltamivir
kegg.drug:D08306 keggD:D08306	Oseltamivir (INN) Agucort (TN)
hmdb:HMDB0014343	Oseltamivir (-)-Oseltamivir Agucort Ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate Ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylic acid GS-4104 HSDB 7433 Oseltamivir phosphate Oseltamivirum Tamiflu ethyl (3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate oseltamivir
hmdb:HMDB14343 chebi:42582 keggC:M_C08092 keggD:M_D08306 seedM:M_cpd05066	secondary/obsolete/fantasy identifier