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Concept information

organooxygen compound > ester > carboxylic ester > carbamate ester > n-benzyloxycarbonylaminoethyl-4,6-dideoxy-4-(3-hydroxy-3-methylbutanamido)-2-o-methyl-beta-d-glucopyranoside
organooxygen compound > carbonyl compound > carboxylic ester > carbamate ester > n-benzyloxycarbonylaminoethyl-4,6-dideoxy-4-(3-hydroxy-3-methylbutanamido)-2-o-methyl-beta-d-glucopyranoside
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > carbamate ester > n-benzyloxycarbonylaminoethyl-4,6-dideoxy-4-(3-hydroxy-3-methylbutanamido)-2-o-methyl-beta-d-glucopyranoside

Preferred term

n-benzyloxycarbonylaminoethyl-4,6-dideoxy-4-(3-hydroxy-3-methylbutanamido)-2-o-methyl-beta-d-glucopyranoside  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C22H34N2O8

inchi

  • InChI=1S/C22H34N2O8/c1-14-17(24-16(25)12-22(2,3)28)18(26)19(29-4)20(32-14)30-11-10-23-21(27)31-13-15-8-6-5-7-9-15/h5-9,14,17-20,26,28H,10-13H2,1-4H3,(H,23,27)(H,24,25)/t14-,17-,18+,19-,20+/m1/s1

inchikey

  • XNRMJGHVUFTXMK-QSWMPLQWSA-N

mass

  • 454.51400

monoisotopicmass

  • 454.23152

smiles

  • CO[C@@H]1[C@@H](O)[C@H](NC(=O)CC(C)(C)O)[C@@H](C)O[C@@H]1OCCNC(=O)OCc1ccccc1

subset

  • 3_STAR

synonym EXACT

  • benzyl [2-({4,6-dideoxy-4-[(3-hydroxy-3-methylbutanoyl)amino]-2-O-methyl-alpha-D-glucopyranosyl}oxy)ethyl]carbamate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:61065

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