Chemical Compound

Teicoplanin A3-1

CAS Registry Number 93616-27-4
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Teicoplanin A3-1 chemical structure
Primary Record

Teicoplanin A3-1

In stock
7,143 g
Purity
99.5 %
CAS
93616-27-4

Compound Identifiers & Properties

CAS
93616-27-4
PubChem CID
16152170
SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]3C(=O)N[C@@H](C4=C(C(=CC(=C4)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C6=C(C=CC(=C6)[C@H](C(=O)N3)NC(=O)[C@H]7C8=CC(=C(C(=C8)OC9=C(C=C2C=C9)Cl)O)OC1=C(C=C(C[C@@H]2C(=O)N[C@@H](C3=CC(=CC(=C3)OC3=C(C=CC(=C3)[C@H](C(=O)N2)N)O)O)C(=O)N7)C=C1)Cl)O)C(=O)O)CO)O)O
Canonical SMILES
CC(=O)N[C@H]1[C@H](O[C@@H]2c3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C[C@H]3NC(=O)[C@H](N)c5ccc(O)c(c5)Oc5cc(O)cc(c5)[C@H](NC3=O)C(=O)N[C@H]4C(=O)N[C@H]3C(=O)N[C@@H]2C(=O)N[C@H](C(=O)O)c2cc(O)cc(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)c2-c2cc3ccc2O)O[C@H](CO)[C@@H](O)[C@@H]1O

Names & Synonyms

  • Teicoplanin A3-1
  • Teicoplanin A
  • Teicoplanin A 3-1
  • SR8H9JSC9D
  • UNII-SR8H9JSC9D
  • RefChem:1099426
  • CHEBI:34999
  • CHEMBL4297089
  • SCHEMBL29601455
  • SCHEMBL30181233
  • DTXSID30872353
  • 93616-27-4
  • r6-GlcNac,r7-Man pseudo-teicoplanin aglycone
  • HY-130340
  • CS-0107369
  • C13613
  • Q27116362
  • (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-26,31,44,49,64-pentahydroxy-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
  • 34-O-(2-(Acetylamino)-2-deoxy-beta-D-glucopyranosyl)-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-42-O-alpha-D-mannopyranosylristomycin A aglycone
  • 34-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-42-O-alpha-D-mannopyranosyl-ristomycinAaglycone
  • (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-26,31,44,49,64-pentahydroxy-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-hexaazaundecacyclo[38.14.2.2~3,6~.2~14,17~.2~19,34~.1~8,12~.1~23,27~.1~29,33~.1~41,45~.0~10,37~.0~46,51~]hexahexaconta-3,5,8(64),9,11,14,16,23(61),24,26,29(60),30,32,41(57),42,44,46,48,50,62,65-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-2,3,16,17,18,19,35,36,37,38,48,49,50,50a-tetradecahydro-6,11,40,44,56-pentahydroxy-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
  • 34-O-[2-(acetamido)-2-deoxy-beta-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-42-O-alpha-D-mannopyranosylristomycin A aglycone
  • 34-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-42-O-alpha-D-mannopyranosyl-ristomycin A aglycone