Chemical Compound

(1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37,48-hexahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]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(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid

CAS Registry Number 82198-76-3
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(1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37,48-hexahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]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(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid 结构式
Primary record

(1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37,48-hexahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]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(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid

库存
7,114 克
纯度
98.4 %
CAS
82198-76-3

化合物标识与属性

CAS
82198-76-3
PubChem CID
3393384
SMILES
CC(C)CC(C(=O)NC1C(C2=CC(=C(C=C2)OC3=CC4=CC(=C3O)OC5=C(C=C(C=C5)C(C6C(=O)NC(C7=C(C(=CC(=C7)O)O)C8=C(C=CC(=C8)C(C(=O)N6)NC(=O)C4NC(=O)C(NC1=O)CC(=O)N)O)C(=O)O)O)Cl)Cl)O)NC
Canonical SMILES
CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O

名称与同义词

  • Vancomycin aglycon
  • Aglucovancomycin B
  • AC1MPZ19
  • SCHEMBL13320865
  • CID3393384
  • FT-0675777
  • J2.289.427G
  • 82198-76-3
  • (1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37,48-hexahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]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(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid
  • 22-(carbamoylmethyl)-47,49-dichloro-2,18,32,35,37,48-hexahydroxy-19-[4-methyl-2-(methylamino)pentanamido]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29,31,33(45),34,36,38,46,49-pentadecaene-40-carboxylic acid
  • 5,11,17-[4,14-Dichloro-1,17-dihydroxy-2,5-vinylene-13,16-vinylene-7,11-(hydroxymethylidyne)-6,12-dioxa-2,4,7,9,13,15-heptadecahexaene-1,9,17-triyl]-2,8-(2,2 ,4-trihydroxybiphenyl-6,5 -diyl)-14-(carbamoylmethyl)-20-isobutyl-4,7,10,13,16,19-hexaoxo-3,6,9,12,15,18,21-heptaazadocosane-1-oic acid