Chemical Compound

Avoparcin-beta

CAS Registry Number 73957-87-6
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Avoparcin-beta chemical structure
Primary Record

Avoparcin-beta

In stock
1,613 g
Purity
99.1 %
CAS
73957-87-6

Compound Identifiers & Properties

CAS
73957-87-6
PubChem CID
20055226
SMILES
C[C@H]1[C@@H]([C@@H](C[C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C4C=C5C=C3OC6=C(C=C(C[C@H]7C(=O)N[C@H](C8=C(C(=CC(=C8)O)O)C9=C(C=CC(=C9)[C@H](C(=O)N7)NC(=O)[C@@H]5NC(=O)[C@@H](NC(=O)[C@@H]([C@@H](C1=CC=C(O4)C=C1)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)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)C1=CC(=C(C=C1)O)Cl)O)C(=O)O)C(=C6)O[C@H]1C[C@H]([C@H]([C@@H](O1)C)O)N)Cl)CO)O)O)N)O
Canonical SMILES
CN[C@H](C(=O)N[C@H]1C(=O)N[C@@H](c2ccc(O)c(Cl)c2)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@@H](Cc4cc(Cl)c(cc4O[C@H]4C[C@@H](N)[C@@H](O)[C@H](C)O4)Oc4cc2cc(c4O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@@H](N)[C@@H](O)[C@H](C)O2)Oc2ccc(cc2)[C@H]1O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](C(=O)O)c1cc(O)cc(O)c1-c1cc3ccc1O)c1ccc(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1

Names & Synonyms

  • Avoparcin-beta
  • Avoparcin beta
  • beta-Avoparcin
  • .BETA.-AVOPARCIN
  • AVOPARCIN-.BETA.
  • RefChem:1079620
  • W47D7146JL
  • Avoparcin alpha, 49-chloro-
  • UNII-W47D7146JL
  • DTXSID701016502
  • SCHEMBL6750931
  • .BETA.-AVOPARCIN [MI]
  • DTXCID701474691
  • EINECS 277-651-4
  • AVOPARCIN .ALPHA., 49-CHLORO
  • BRN 5698675
  • 73957-87-6
  • (1S,18R,19R,22S,25R,28R,40R)-4-[(2S,4R,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-48-[(2S,3R,4S,5S,6R)-3-[(2S,4R,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-49-chloro-22-(3-chloro-4-hydroxyphenyl)-32,35,37-trihydroxy-19-[[(2S)-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-18-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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(50),4,6(49),8,10,12(48),14(47),15,17(46),29(45),30,32,34(39),35,37-pentadecaene-40-carboxylic acid
  • (1S,18R,19R,22S,25R,28R,40R)-4-{[(2S,4R,5R,6S)-4-Amino-5-hydroxy-6-methyloxan-2-yl]oxy}-48-{[(2S,3R,4S,5S,6R)-3-{[(2S,4R,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-49-chloro-22-(3-chloro-4-hydroxyphenyl)-32,35,37-trihydroxy-19-{[(2S)-2-(methylamino)-2-(4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}phenyl)acetyl]amino}-20,23,26,42,44-pentaoxo-18-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2~3,6~.2~14,17~.1~8,12~.1~29,33~.0~10,25~.0~34,39~]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-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-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(50),4,6(49),8,10,12(48),14(47),15,17(46),29(45),30,32,34(39),35,37-pentadecaene-40-carboxylic acid
  • 277-651-4
  • Vancomycin,22-O-(3-amino-2,3,6-trideoxy-a-L-ribo-hexopyranosyl)-3-(3-chloro-4-hydroxyphenyl)-3-de(2-amino-2-oxoethyl)-10-dechloro-3''-demethyl-49-de[4-methyl-2-(methylamino)-1-oxopentyl]-49-[(2R)-[4-[(6-deoxy-a-L-mannopyranosyl)oxy]phenyl](methylamino)ace