Chemical Compound

(1S,2R,18R,19R,22S,25R,28R,40S)-19-amino-22-(carbamoylmethyl)-47,49-dichloro-48-{[(2S,3R,4S,5S,6R)-3-{[(2S,4S,5S,6S)-4-({4'-chloro-[1,1'-biphenyl]-4-yl}amino)-5-hydroxy-4,6-dimethyloxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,18,32,35,37-pentahydroxy-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-3,5,8,10,12(48),14,16,29,31,33(45),34,36,38,46,49-pentadecaene-40-carboxylic acid

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(1S,2R,18R,19R,22S,25R,28R,40S)-19-amino-22-(carbamoylmethyl)-47,49-dichloro-48-{[(2S,3R,4S,5S,6R)-3-{[(2S,4S,5S,6S)-4-({4'-chloro-[1,1'-biphenyl]-4-yl}amino)-5-hydroxy-4,6-dimethyloxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,18,32,35,37-pentahydroxy-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-3,5,8,10,12(48),14,16,29,31,33(45),34,36,38,46,49-pentadecaene-40-carboxylic acid 结构式
Primary record

(1S,2R,18R,19R,22S,25R,28R,40S)-19-amino-22-(carbamoylmethyl)-47,49-dichloro-48-{[(2S,3R,4S,5S,6R)-3-{[(2S,4S,5S,6S)-4-({4'-chloro-[1,1'-biphenyl]-4-yl}amino)-5-hydroxy-4,6-dimethyloxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,18,32,35,37-pentahydroxy-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-3,5,8,10,12(48),14,16,29,31,33(45),34,36,38,46,49-pentadecaene-40-carboxylic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177399893
SMILES
C[C@H]1[C@H]([C@@](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=C6)[C@H]([C@H]7C(=O)NC(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)Cl)O)N)CC(=O)N)O)C(=O)O)O)Cl)CO)O)O)(C)NC1=CC=C(C=C1)C1=CC=C(C=C1)Cl)O
Canonical SMILES
C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3c4cc5cc3Oc3ccc(cc3Cl)[C@@H](O)[C@@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]5C(=O)N[C@H]3C(=O)N[C@H](C(=O)NC(C(=O)O)c5cc(O)cc(O)c5-c5cc3ccc5O)[C@H](O)c3ccc(c(Cl)c3)O4)O[C@H](CO)[C@@H](O)[C@@H]2O)C[C@](C)(Nc2ccc(-c3ccc(Cl)cc3)cc2)[C@@H]1O

名称与同义词

  • Desleucyl chlorobiphenyl vancomycin
  • J1.110.827J
  • (1S,2R,18R,19R,22S,25R,28R,40S)-19-amino-22-(carbamoylmethyl)-47,49-dichloro-48-{[(2S,3R,4S,5S,6R)-3-{[(2S,4S,5S,6S)-4-({4'-chloro-[1,1'-biphenyl]-4-yl}amino)-5-hydroxy-4,6-dimethyloxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,18,32,35,37-pentahydroxy-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-3,5,8,10,12(48),14,16,29,31,33(45),34,36,38,46,49-pentadecaene-40-carboxylic acid
  • 3 -Deamino-3 -(4 -chlorobiphenyl-4-ylamino)-49-de[2-(methylamino)-4-methylpentanoyl]vancomycin
  • 3 -Deamino-3 -[(4 -chloro-1,1 -biphenyl-4-yl)amino]-49-des(N-methylleucyl)vancomycin