Chemical Compound

(1S,2R,19R,22S,34S,37R,40R,52R)-22-amino-5,15-dichloro-64-((2S,3R,4R,5S,6R)-4,5-dihydroxy-3-(((Z)-1-hydroxydec-4-enylidene)amino)-6-(hydroxymethyl)oxan-2-yl)oxy-2-((2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(1-hydroxyethylideneamino)-6-(hydroxymethyl)oxan-2-yl)oxy-21,26,31,35,38,44,49,54,56,59-decahydroxy-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),14,16,20,23(61),24,26,29(60),30,32,35,38,41(57),42,44,46(51),47,49,53,55,58,62,65-heptacosaene-52-carboxylic acid

CAS Registry Number 61036-62-2
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(1S,2R,19R,22S,34S,37R,40R,52R)-22-amino-5,15-dichloro-64-((2S,3R,4R,5S,6R)-4,5-dihydroxy-3-(((Z)-1-hydroxydec-4-enylidene)amino)-6-(hydroxymethyl)oxan-2-yl)oxy-2-((2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(1-hydroxyethylideneamino)-6-(hydroxymethyl)oxan-2-yl)oxy-21,26,31,35,38,44,49,54,56,59-decahydroxy-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),14,16,20,23(61),24,26,29(60),30,32,35,38,41(57),42,44,46(51),47,49,53,55,58,62,65-heptacosaene-52-carboxylic acid 结构式
Primary record

(1S,2R,19R,22S,34S,37R,40R,52R)-22-amino-5,15-dichloro-64-((2S,3R,4R,5S,6R)-4,5-dihydroxy-3-(((Z)-1-hydroxydec-4-enylidene)amino)-6-(hydroxymethyl)oxan-2-yl)oxy-2-((2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(1-hydroxyethylideneamino)-6-(hydroxymethyl)oxan-2-yl)oxy-21,26,31,35,38,44,49,54,56,59-decahydroxy-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),14,16,20,23(61),24,26,29(60),30,32,35,38,41(57),42,44,46(51),47,49,53,55,58,62,65-heptacosaene-52-carboxylic acid

库存
9,034 克
纯度
98.7 %
CAS
61036-62-2

化合物标识与属性

CAS
61036-62-2
PubChem CID
16129710
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

名称与同义词

  • Targocid
  • TEICOPLANIN
  • Teichomycin A2-1
  • Teicoplanin A2-1
  • Teicoplanin-A2-1
  • RefChem:1099427
  • Teicoplanin a(sub 2-1)
  • DSSTox_CID_26917
  • DSSTox_RID_82840
  • DSSTox_GSID_48642
  • SCHEMBL29711250
  • Teichomycin A(sub 2) factor 1
  • Tox21_112806
  • T-A2-1
  • AKOS030485955
  • BRN 6261779
  • NCGC00181348-01
  • CAS-61036-62-2
  • LS-148651
  • NS00011843
  • oxymethyl)oxan-2-yl]oxy}-26,31,44,49-tetrahydroxy-21,35
  • ^{29,33}.1^{41,45}.0^{10,37}.0^{46,51}]hexahexaconta-3,
  • (1S,2R,19R,22S,34S,37R,40R,52R)-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,22S,34S,37R,40R,52R)-2-((2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-22-azaniumyl-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-carboxylate
  • (1S,2R,19R,22S,34S,37R,40R,52R)-22-amino-5,15-dichloro-64-((2S,3R,4R,5S,6R)-4,5-dihydroxy-3-(((Z)-1-hydroxydec-4-enylidene)amino)-6-(hydroxymethyl)oxan-2-yl)oxy-2-((2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(1-hydroxyethylideneamino)-6-(hydroxymethyl)oxan-2-yl)oxy-21,26,31,35,38,44,49,54,56,59-decahydroxy-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),14,16,20,23(61),24,26,29(60),30,32,35,38,41(57),42,44,46(51),47,49,53,55,58,62,65-heptacosaene-52-carboxylic acid
  • (1S,2R,19R,22S,34S,37R,40R,52R)-22-amino-5,63-dichloro-64-{[(2S,3R,4R,5S,6R)-3-[(4Z)-dec-4-enamido]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydr
  • (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
  • ,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
  • 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
  • 61036-62-2