Chemical Compound

(1-((6S,13S,19S,22S,25E,28S,31Z,34S)-6-(3-amino-3-oxopropyl)-34-benzyl-25,31-di(ethylidene)-9-hydroxy-22-((1R)-1-hydroxyethyl)-28-(hydroxymethyl)-2,5,8,12,18,21,24,27,30,33,36-undecaoxo-19-(2-phenylethyl)-1,4,7,11,17,20,23,26,29,32,35-undecazatricyclo(35.3.0.013,17)tetracontan-10-yl)-4,5-dihydroxy-7-methyloctan-2-yl) 2-(acetyl(methyl)amino)-4-methylpentanoate

CAS Registry Number 853997-01-0
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(1-((6S,13S,19S,22S,25E,28S,31Z,34S)-6-(3-amino-3-oxopropyl)-34-benzyl-25,31-di(ethylidene)-9-hydroxy-22-((1R)-1-hydroxyethyl)-28-(hydroxymethyl)-2,5,8,12,18,21,24,27,30,33,36-undecaoxo-19-(2-phenylethyl)-1,4,7,11,17,20,23,26,29,32,35-undecazatricyclo(35.3.0.013,17)tetracontan-10-yl)-4,5-dihydroxy-7-methyloctan-2-yl) 2-(acetyl(methyl)amino)-4-methylpentanoate 结构式
Primary record

(1-((6S,13S,19S,22S,25E,28S,31Z,34S)-6-(3-amino-3-oxopropyl)-34-benzyl-25,31-di(ethylidene)-9-hydroxy-22-((1R)-1-hydroxyethyl)-28-(hydroxymethyl)-2,5,8,12,18,21,24,27,30,33,36-undecaoxo-19-(2-phenylethyl)-1,4,7,11,17,20,23,26,29,32,35-undecazatricyclo(35.3.0.013,17)tetracontan-10-yl)-4,5-dihydroxy-7-methyloctan-2-yl) 2-(acetyl(methyl)amino)-4-methylpentanoate

库存
3,925 克
纯度
98.1 %
CAS
853997-01-0

化合物标识与属性

CAS
853997-01-0
PubChem CID
139583844
SMILES
C/C=C\1/C(=O)N[C@H](C(=O)N/C(=C/C)/C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)NC(C(C(=O)N[C@H](C(=O)NCC(=O)N3CCCC3C(=O)N[C@H](C(=O)N1)CC4=CC=CC=C4)CCC(=O)N)O)CC(CC(C(CC(C)C)O)O)OC(=O)C(CC(C)C)N(C)C(=O)C)CCC5=CC=CC=C5)[C@@H](C)O)CO
Canonical SMILES
C/C=C1\NC(=O)[C@H](Cc2ccccc2)NC(=O)C2CCCN2C(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(O)C(CC(CC(O)C(O)CC(C)C)OC(=O)C(CC(C)C)N(C)C(C)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)/C(=C\C)NC(=O)[C@H](CO)NC1=O

名称与同义词

  • Pahayokolide A
  • RefChem:928494
  • DTXCID901765422
  • DTXSID401335630
  • (1-((6S,13S,19S,22S,25E,28S,31Z,34S)-6-(3-amino-3-oxopropyl)-34-benzyl-25,31-di(ethylidene)-9-hydroxy-22-((1R)-1-hydroxyethyl)-28-(hydroxymethyl)-2,5,8,12,18,21,24,27,30,33,36-undecaoxo-19-(2-phenylethyl)-1,4,7,11,17,20,23,26,29,32,35-undecazatricyclo(35.3.0.013,17)tetracontan-10-yl)-4,5-dihydroxy-7-methyloctan-2-yl) 2-(acetyl(methyl)amino)-4-methylpentanoate
  • 1-((12E,18Z)-32-(3-amino-3-oxopropyl)-21-benzyl-12,18-diethylidene-35-hydroxy-9-(1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,23,28,31,34,38-undecaoxo-6-phenethylhexatriacontahydro-1H,5H-dipyrrolo(1,2-b1:1',2'-g)(1,4,7,10,13,16,19,22,25,28,31)undecaazacyclotetratriacontin-36-yl)-4,5-dihydroxy-7-methyloctan-2-yl N-acetyl-N-methylleucinate
  • 853997-01-0