Chemical Compound

Teicoplanin A2-1

CAS Registry Number 91032-34-7
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Teicoplanin A2-1 chemical structure
Primary Record

Teicoplanin A2-1

In stock
1,363 g
Purity
98.4 %
CAS
91032-34-7

Compound Identifiers & Properties

CAS
91032-34-7
PubChem CID
16135801
SMILES
CCCCC/C=C\CCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)[C@H]([C@H]6C(=O)N[C@@H](C7=C(C(=CC(=C7)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C9=C(C=CC(=C9)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]1C2=CC(=CC(=C2)OC2=C(C=CC(=C2)[C@H](C(=O)N[C@H](CC2=CC(=C(O3)C=C2)Cl)C(=O)N1)N)O)O)O)C(=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)Cl)CO)O)O
Canonical SMILES
CCCCC/C=C\CCC(=O)N[C@H]1[C@H](Oc2c3cc4cc2Oc2ccc(cc2Cl)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]2NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H]4NC(=O)[C@@H](Cc5ccc(c(Cl)c5)O3)NC(=O)[C@H](N)c3ccc(O)c(c3)Oc3cc(O)cc4c3)c3ccc(O)c(c3)-c3c(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)cc(O)cc3[C@@H](C(=O)O)NC2=O)O[C@H](CO)[C@@H](O)[C@@H]1O

Names & Synonyms

  • Teicoplanin A2-1
  • Teichomycin A2-1
  • 36DYU0VKRK
  • UNII-36DYU0VKRK
  • RefChem:1099423
  • CHEMBL4297191
  • SCHEMBL29416876
  • Teichomycin A(sub 2) factor 1
  • CHEBI:34995
  • TEICOPLANIN A2-1 [MI]
  • T-A2-1
  • BRN 6261779
  • 91032-34-7
  • (1S,2R,19R,22S,34S,37R,40R,52S)-2-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-amino-5,15-dichloro-64-[(2S,3R,4R,5S,6R)-3-[[(Z)-dec-4-enoyl]amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-26,31,44,49-tetrahydroxy-21,35,38,54,56,59-hexaoxo-47-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,62,65-henicosaene-52-carboxylic acid
  • (1S,2R,19R,22R,34S,37R,40R,52S)-2-((2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-22-amino-5,15-dichloro-64-((2S,3R,4R,5S,6R)-3-(((Z)-dec-4-enoyl)amino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-26,31,44,49-tetrahydroxy-21,35,38,54,56,59-hexaoxo-47-((2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo(38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51)hexahexaconta-3,5,8,10,12(64),14,16,23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,62,65-henicosaene-52-carboxylic acid
  • (3S,15R,18R,34R,35S,38S,48R,50aR)-34-((2-Acetamido-2-deoxy-beta-D-glucopyranosyl)oxy)-15-amino-22,31-dichloro-56-((2-(Z)-4-decenamido-2-deoxy-beta-D-glucopyranosyl)oxy)-2,3,16,17,18,19,35,36,37,38,48,49,50,50a-tetradecahydro-6,11,40,44-tetrahydroxy-42-(alpha-D-mannopyranosyloxy)-2,16,36,50,51,59-hexaoxo-1H,15H,34H-20,23:30,33-dietheno-3,18:35,48-bis(iminomethano)-4,8:10,14:25,28:43,47-tetrametheno-28H-(1,14,6,22)dioxadiazacyclooctacosino(4,5-m)(10,2,16)benzoxadiazacyclotetracosine-38-carboxylic acid
  • (Z)-34-O-(2-(Acetylamino)-2-deoxy-beta-D-glucopyranosyl)-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-(2-deoxy-2-((1-oxo-4-decenyl)amino)-beta-D-glucopyranosyl)42-O-alpha-D-mannopyranosylristomycin A aglycone
  • RISTOMYCIN A AGLYCONE, 34-O-(2-(ACETYLAMINO)-2-DEOXY-.BETA.-D-GLUCOPYRANOSYL)-22,31-DICHLORO-7-DEMETHYL-64-O-DEMETHYL-19-DEOXY-56-O-(2-DEOXY-2-(((4Z)-1-OXO-4-DECENYL)AMINO)-.BETA.-D-GLUCOPYRANOSYL)-42-O-.ALPHA.-D-MANNOPYRANOSYL-
  • Ristomycin A aglycone,34-O-[2-(acetylamino)-2-deoxy-b-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-[2-deoxy-2-[[(4Z)-1-oxo-4-decenyl]amino]-b-D-glucopyranosyl]-42-O-a-D-mannopyranosyl-