Chemical Compound

(1S,2R,19R,22R,34S,37R,40R,52S)-64-{[(2S,3R,4R,5S,6S)-3-Amino-6-carboxy-4,5-dihydroxyoxan-2-yl]oxy}-48-({4-[(4-butylphenyl)methyl]piperazin-1-yl}methyl)-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 562105-20-8
返回搜索 申请报价
(1S,2R,19R,22R,34S,37R,40R,52S)-64-{[(2S,3R,4R,5S,6S)-3-Amino-6-carboxy-4,5-dihydroxyoxan-2-yl]oxy}-48-({4-[(4-butylphenyl)methyl]piperazin-1-yl}methyl)-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)-64-{[(2S,3R,4R,5S,6S)-3-Amino-6-carboxy-4,5-dihydroxyoxan-2-yl]oxy}-48-({4-[(4-butylphenyl)methyl]piperazin-1-yl}methyl)-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
6,609 克
纯度
98.3 %
CAS
562105-20-8

化合物标识与属性

CAS
562105-20-8
PubChem CID
16133980
SMILES
CCCCC1=CC=C(C=C1)CN2CCN(CC2)CC3=C(C=C4[C@H](NC(=O)[C@@H]5[C@@H](C6=CC(=C(C=C6)OC7=CC8=CC(=C7O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)C(=O)O)O)O)N)OC1=CC=C(C[C@@H]2C(=O)N[C@@H](C6=C(C(=CC(=C6)OC6=C(C=CC(=C6)[C@H](C(=O)N2)NC)O)O)Cl)C(=O)N[C@H]8C(=O)N[C@H](C2=CC(=C(C=C2)O)C4=C3O)C(=O)N5)C=C1)Cl)O)C(=O)O)O
Canonical SMILES
CCCCc1ccc(CN2CCN(Cc3c(O)cc4c(c3O)-c3cc(ccc3O)[C@H]3NC(=O)[C@@H]5NC(=O)[C@H]6NC(=O)[C@@H](Cc7ccc(cc7)Oc7cc5cc(c7O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5N)Oc5ccc(cc5Cl)[C@@H](O)[C@H](NC3=O)C(=O)N[C@@H]4C(=O)O)NC(=O)[C@H](NC)c3ccc(O)c(c3)Oc3cc(O)c(Cl)c6c3)CC2)cc1

名称与同义词

  • DTXSID70204750
  • 562105-20-8
  • Ristomycin A aglycone, 41-((4-((4-butylphenyl)methyl)-1-piperazinyl)methyl)- 56-O-(2-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)-64-{[(2S,3R,4R,5S,6S)-3-Amino-6-carboxy-4,5-dihydroxyoxan-2-yl]oxy}-48-({4-[(4-butylphenyl)methyl]piperazin-1-yl}methyl)-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-amino-6-carboxy-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-[[4-[(4-butylphenyl)methyl]piperazin-1-yl]methyl]-dichloro-hexahydroxy-(methylamino)-hexaoxo-[?]carboxylic acid
  • Ristomycin A aglycone, 41-((4-((4-butylphenyl)methyl)-1-piperazinyl)methyl)-56-O-(2-amino-2-deoxy-betaD-glucopyranuronosyl)-5,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-N15-methyl-
  • Ristomycin A aglycone, 41-[[4-([4-butylphenyl)methyl)-1-piperazinyl]methyl]- 56-O-(2-amino-2-deoxy-.beta.D-glucopyranuronosyl]-5,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-N15-methyl-