Chemical Compound

Avoparcin

CAS Registry Number 37332-99-3
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Avoparcin chemical structure
Primary Record

Avoparcin

In stock
9,784 g
Purity
99.0 %
CAS
37332-99-3

Compound Identifiers & Properties

CAS
37332-99-3
PubChem CID
16132294
SMILES
C[C@H]1[C@@H]([C@@H](C[C@@H](O1)O[C@H]2[C@H]3C(=O)N[C@@H](C4=C(C(=CC(=C4)O)O)C5=C(C=CC(=C5)[C@H](C(=O)N3)NC(=O)[C@H]6C7=CC(=C(C(=C7)OC8=C(C=C2C=C8)Cl)O[C@H]9C([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@H]1C[C@H]([C@H]([C@@H](O1)C)O)N)OC1=CC=C(C=C1)[C@H]([C@H](C(=O)N[C@H](C(=O)N6)C1=CC=C(C=C1)O)NC(=O)[C@@H](C1=CC=C(C=C1)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)NC)O)O)C(=O)O)N)O
Canonical SMILES
CN[C@@H](C(=O)N[C@H]1C(=O)N[C@@H](c2ccc(O)cc2)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O[C@H]3C[C@@H](N)[C@@H](O)[C@H](C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)C2O[C@H]2C[C@@H](N)[C@@H](O)[C@H](C)O2)Oc2ccc(cc2)[C@H]1O)c1ccc(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1

Names & Synonyms

  • Avoparcin
  • Avoparcina
  • Avoparcine
  • Avoparcinum
  • Avotan
  • Avoparcin alpha
  • Compound 254
  • Avotan 50
  • UNII-WJ13O9MNTI
  • Avoparcine [INN-French]
  • Avoparcinum [INN-Latin]
  • Avoparcina [INN-Spanish]
  • WJ13O9MNTI
  • RefChem:560424
  • LL-AV290
  • Avoparcin [USAN:INN:BAN]
  • Avoparcin [USAN:BAN:INN]
  • HSDB 7030
  • AV-290
  • SCHEMBL29360506
  • EINECS 253-466-4
  • CHEBI:221101
  • DTXSID901053265
  • CL 81,588
  • C-254
  • 37332-99-3
  • AN-6387
  • CL 81,587
  • CL-81587
  • NS00078798
  • (1S,2R,18R,19R,22S,25R,28R,40S)-2-[(2R,4R,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-48-[(2S,4S,5S,6R)-3-[(2R,4R,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-chloro-18,32,35,37-tetrahydroxy-22-(4-hydroxyphenyl)-19-[[(2R)-2-(methylamino)-2-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]acetyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14(47),15,17(46),29(45),30,32,34(39),35,37,49-pentadecaene-40-carboxylic acid
  • (1S,2R,18R,19R,22S,25R,28R,40S)-2-((2R,4R,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-48-((2S,4S,5S,6R)-3-((2R,4R,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-5-chloro-18,20,23,26,32,35,37,42,44-nonahydroxy-19-(((2R)-1-hydroxy-2-(methylamino)-2-(4-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl)ethylidene)amino)-22-(4-hydroxyphenyl)-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo(26.14.2.23,6.214,17.18,12.129,33.010,25.034,39)pentaconta-3,5,8,10,12(48),14(47),15,17(46),20,23,26,29(45),30,32,34(39),35,37,41,43,49-icosaene-40-carboxylic acid
  • 253-466-4