Chemical Compound

(1S,2R,19R,22S,37R,40R)-64-{[(2S,3R,4R,5S,6S)-6-carboxy-4,5-dihydroxy-3-(8-methylnonanamido)oxan-2-yl]oxy}-32,65-dichloro-2,26,31,44,47,49-hexahydroxy-22-(methylamino)-21,35,38,54,56,59-hexaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundecacyclo[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(64),9,11,14,16,23,25,27(61),29,31,33(60),41,43,45(57),46,48,50,62,65-henicosaene-52-carboxylic acid

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(1S,2R,19R,22S,37R,40R)-64-{[(2S,3R,4R,5S,6S)-6-carboxy-4,5-dihydroxy-3-(8-methylnonanamido)oxan-2-yl]oxy}-32,65-dichloro-2,26,31,44,47,49-hexahydroxy-22-(methylamino)-21,35,38,54,56,59-hexaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundecacyclo[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(64),9,11,14,16,23,25,27(61),29,31,33(60),41,43,45(57),46,48,50,62,65-henicosaene-52-carboxylic acid 结构式
Primary record

(1S,2R,19R,22S,37R,40R)-64-{[(2S,3R,4R,5S,6S)-6-carboxy-4,5-dihydroxy-3-(8-methylnonanamido)oxan-2-yl]oxy}-32,65-dichloro-2,26,31,44,47,49-hexahydroxy-22-(methylamino)-21,35,38,54,56,59-hexaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundecacyclo[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(64),9,11,14,16,23,25,27(61),29,31,33(60),41,43,45(57),46,48,50,62,65-henicosaene-52-carboxylic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177423706
SMILES
CC(C)CCCCCCC(=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)NC(C7=C(C(=CC(=C7)O)O)C8=C(C=CC(=C8)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)C9C1=C(C(=CC(=C1)OC1=C(C=CC(=C1)[C@@H](C(=O)N[C@H](CC1=CC=C(O3)C=C1)C(=O)N9)NC)O)O)Cl)O)C(=O)O)O)Cl)C(=O)O)O)O
Canonical SMILES
CN[C@@H]1C(=O)N[C@@H]2Cc3ccc(cc3)Oc3cc4cc(c3O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3NC(=O)CCCCCCC(C)C)Oc3ccc(cc3Cl)[C@@H](O)[C@@H]3NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)C(NC2=O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)NC3=O

名称与同义词

  • Demannosyl A-40926
  • J1.913.168H
  • (1S,2R,19R,22S,37R,40R)-64-{[(2S,3R,4R,5S,6S)-6-carboxy-4,5-dihydroxy-3-(8-methylnonanamido)oxan-2-yl]oxy}-32,65-dichloro-2,26,31,44,47,49-hexahydroxy-22-(methylamino)-21,35,38,54,56,59-hexaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundecacyclo[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(64),9,11,14,16,23,25,27(61),29,31,33(60),41,43,45(57),46,48,50,62,65-henicosaene-52-carboxylic acid
  • 15-N-Methyl-5,31-dichloro-7,64-O-didemethyl-19-deoxy-56-O-[2-deoxy-2-[(8-methyl-1-oxononyl)amino]-beta-D-glucopyranuronosyl]ristomycin A aglycone