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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H27N3O4S
Molecular Weight 381.49
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ent-Lamivudine Acid (1S,2R,5S)-5-Methyl-2-isopropylcyclohexyl Ester

SMILES

CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)[C@H]2O[C@H](CS2)N3C=CC(N)=NC3=O

InChI

InChIKey=QMYKWNYBSBURDT-CBAJHEILSA-N
InChI=1S/C18H27N3O4S/c1-10(2)12-5-4-11(3)8-13(12)24-16(22)17-25-15(9-26-17)21-7-6-14(19)20-18(21)23/h6-7,10-13,15,17H,4-5,8-9H2,1-3H3,(H2,19,20,23)/t11-,12+,13-,15+,17-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ent-Lamivudine Acid (1S,2R,5S)-5-Methyl-2-isopropylcyclohexyl Ester
Common Name English
(1S,2R,5S)-5-Methyl-2-(1-methylethyl)cyclohexyl (2S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate
Preferred Name English
1,3-Oxathiolane-2-carboxylic acid, 5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-, (1S,2R,5S)-5-methyl-2-(1-methylethyl)cyclohexyl ester, (2S,5R)
Systematic Name English
1,3-Oxathiolane-2-carboxylic acid, 5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1S-[1?(2R*,5S*),2?,5?]]
Systematic Name English
Code System Code Type Description
FDA UNII
VMT6UT5H2R
Created by admin on Wed Apr 02 17:29:40 GMT 2025 , Edited by admin on Wed Apr 02 17:29:40 GMT 2025
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CAS
147126-74-7
Created by admin on Wed Apr 02 17:29:40 GMT 2025 , Edited by admin on Wed Apr 02 17:29:40 GMT 2025
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EPA CompTox
DTXSID001104910
Created by admin on Wed Apr 02 17:29:40 GMT 2025 , Edited by admin on Wed Apr 02 17:29:40 GMT 2025
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PUBCHEM
10022737
Created by admin on Wed Apr 02 17:29:40 GMT 2025 , Edited by admin on Wed Apr 02 17:29:40 GMT 2025
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