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Ethyl (3S,4S,5R)-4-acetamido-5-amino-3-(3-pentanyloxy)-1-cyclohexene-1-carboxylate

ChemSpider ID: 22937727
Molecular Formula: C₁₆H₂₈N₂O₄
Average mass: 312.40451 Da
Monoisotopic mass: 312.204895 Da
Systematic name

Ethyl (3S,4S,5R)-4-acetamido-5-amino-3-(3-pentanyloxy)-1-cyclohexene-1-carboxylate
SMILES and InChIs

SMILES:

CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)OCC Copied

Std. 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+/m1/s1 Copied

Std. InChIKey:

VSZGPKBBMSAYNT-ILXRZTDVSA-N Copied
Cite this record
CSID:22937727, http://www.chemspider.com/Chemical-Structure.22937727.html (accessed 04:57, May 26, 2013) Copied

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

Click to predict properties on the Chemicalize site

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