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CHEBI:40142 - butyl (2S)-[(2S,3S,4S,5S)-1,3,4,5-tetrahydroxy-4-(hydroxymethyl)piperidin-2-yl](L-tyrosylamino)acetate

ChEBI IDCHEBI:40142
ChEBI Namebutyl (2S)-[(2S,3S,4S,5S)-1,3,4,5-tetrahydroxy-4-(hydroxymethyl)piperidin-2-yl](L-tyrosylamino)acetate
Stars
ASCII Namebutyl (2S)-[(2S,3S,4S,5S)-1,3,4,5-tetrahydroxy-4-(hydroxymethyl)piperidin-2-yl](L-tyrosylamino)acetate
Last Modified11 March 2008
DownloadsMolfile
FormulaC21H33N3O9
Net Charge0
Average Mass471.507
Monoisotopic Mass471.22168
SMILES[H]Oc1c([H])c([H])c(C([H])([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C(=O)OC([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@]2([H])N(O[H])C([H])([H])[C@]([H])(O[H])[C@@](O[H])(C([H])([H])O[H])[C@@]2([H])O[H])N([H])[H])c([H])c1[H]
InChIInChI=1S/C21H33N3O9/c1-2-3-8-33-20(30)16(17-18(28)21(31,11-25)15(27)10-24(17)32)23-19(29)14(22)9-12-4-6-13(26)7-5-12/h4-7,14-18,25-28,31-32H,2-3,8-11,22H2,1H3,(H,23,29)/t14-,15-,16-,17-,18-,21-/m0/s1
InChIKeyIPZUTNGJHRAITA-FULAYSDLSA-N
ChEBI Ontology
Outgoing Relation(s)
butyl (2S)-[(2S,3S,4S,5S)-1,3,4,5-tetrahydroxy-4-(hydroxymethyl)piperidin-2-yl](L-tyrosylamino)acetate (CHEBI:40142) has functional parent (2S)-[(2S,3S,4S,5S)-1,3,4,5-tetrahydroxy-4-(hydroxymethyl)piperidin-2-yl](L-tyrosylamino)acetic acid (CHEBI:40208)
butyl (2S)-[(2S,3S,4S,5S)-1,3,4,5-tetrahydroxy-4-(hydroxymethyl)piperidin-2-yl](L-tyrosylamino)acetate (CHEBI:40142) is a acetate ester (CHEBI:47622)
Synonyms  Source
[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-(1,3,4,5-TETRAHYDROXY-4-HYDROXYMETHYL-PIPERIDIN-2-YL)- ACETIC ACID BUTYL ESTERPDBeChem
butyl (2S)-[(2S,3S,4S,5S)-1,3,4,5-tetrahydroxy-4-(hydroxymethyl)piperidin-2-yl](L-tyrosylamino)ethanoatePDBeChem
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