Chemical Compound

(1S,2R,19R,22R,34S,37R,40R,52S)-48-({4-[([1,1'-Biphenyl]-4-yl)methyl]piperazin-1-yl}methyl)-64-{[(2S,3R,4R,5S,6S)-3-{[(4-butylphenyl)methyl]amino}-6-carboxy-4,5-dihydroxyoxan-2-yl]oxy}-5,32-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[38.14.2.2~3,6~.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

CAS Registry Number 562105-18-4
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(1S,2R,19R,22R,34S,37R,40R,52S)-48-({4-[([1,1'-Biphenyl]-4-yl)methyl]piperazin-1-yl}methyl)-64-{[(2S,3R,4R,5S,6S)-3-{[(4-butylphenyl)methyl]amino}-6-carboxy-4,5-dihydroxyoxan-2-yl]oxy}-5,32-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[38.14.2.2~3,6~.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 结构式
Primary record

(1S,2R,19R,22R,34S,37R,40R,52S)-48-({4-[([1,1'-Biphenyl]-4-yl)methyl]piperazin-1-yl}methyl)-64-{[(2S,3R,4R,5S,6S)-3-{[(4-butylphenyl)methyl]amino}-6-carboxy-4,5-dihydroxyoxan-2-yl]oxy}-5,32-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[38.14.2.2~3,6~.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

库存
4,991 克
纯度
98.5 %
CAS
562105-18-4

化合物标识与属性

CAS
562105-18-4
PubChem CID
16133979
SMILES
CCCCC1=CC=C(C=C1)CN[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)N[C@@H](C8=CC(=C(C(=C8C9=C(C=CC(=C9)[C@H](C(=O)N7)NC(=O)[C@@H]5NC(=O)[C@@H]1C2=C(C(=CC(=C2)OC2=C(C=CC(=C2)[C@H](C(=O)N[C@H](CC2=CC=C(O4)C=C2)C(=O)N1)NC)O)O)Cl)O)O)CN1CCN(CC1)CC1=CC=C(C=C1)C1=CC=CC=C1)O)C(=O)O)O)Cl)C(=O)O)O)O
Canonical SMILES
CCCCc1ccc(CN[C@H]2[C@H](Oc3c4cc5cc3Oc3ccc(cc3Cl)[C@@H](O)[C@@H]3NC(=O)[C@H](NC(=O)[C@@H]5NC(=O)[C@H]5NC(=O)[C@@H](Cc6ccc(cc6)O4)NC(=O)[C@H](NC)c4ccc(O)c(c4)Oc4cc(O)c(Cl)c5c4)c4ccc(O)c(c4)-c4c(cc(O)c(CN5CCN(Cc6ccc(-c7ccccc7)cc6)CC5)c4O)[C@@H](C(=O)O)NC3=O)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)cc1

名称与同义词

  • DTXSID60204749
  • 562105-18-4
  • Ristomycin A aglycone, 41-((4-((1,1'-biphenyl)-4-ylmethyl)-1-piperazinyl)methyl)-56-O-(2-(((4-butoxyphenyl)methyl)amino)-2-deoxy-betaD-glucopyranuronosyl)-5,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-N15-methyl-
  • (1S,2R,19R,22R,34S,37R,40R,52S)-48-({4-[([1,1'-Biphenyl]-4-yl)methyl]piperazin-1-yl}methyl)-64-{[(2S,3R,4R,5S,6S)-3-{[(4-butylphenyl)methyl]amino}-6-carboxy-4,5-dihydroxyoxan-2-yl]oxy}-5,32-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[38.14.2.2~3,6~.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
  • [(2S,3R,4R,5S,6S)-3-[(4-butylphenyl)methylamino]-6-carboxy-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-dichloro-hexahydroxy-(methylamino)-hexaoxo-[[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methyl][?]carboxylic acid
  • Ristomycin A aglycone, 41-((4-((1,1'-biphenyl)-4-ylmethyl)-1-piperazinyl)methyl)-56-O-(2-(((4-butoxyphenyl)methyl)amino)-2-deoxy--betaD-glucopyranuronosyl)-5,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-N15-methyl-
  • Ristomycin A aglycone, 41-[[4-([1.1'-biphenyl]-4-ylmethyl)-1-piperazinyl]methyl]- 56-O-[2-[[(4-butoxyphenyl)methyl]amino]-2-deoxy--.beta.D-glucopyranuronosyl]-5,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-N15-methyl-