Chemical Compound

3-(18,57-dibenzyl-9,63-di(butan-2-yl)-3-(1-hydroxyethyl)-60-(hydroxymethyl)-21,54-bis((4-hydroxyphenyl)methyl)-36-(1H-imidazol-5-ylmethyl)-42-methyl-2,5,8,11,14,17,20,23,26,32,35,38,41,44,47,50,53,56,59,62,65-henicosaoxo-15,33-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,31,34,37,40,43,46,49,52,55,58,61,64-henicosazatricyclo(64.3.0.027,31)nonahexacontan-24-yl)propanoic acid

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3-(18,57-dibenzyl-9,63-di(butan-2-yl)-3-(1-hydroxyethyl)-60-(hydroxymethyl)-21,54-bis((4-hydroxyphenyl)methyl)-36-(1H-imidazol-5-ylmethyl)-42-methyl-2,5,8,11,14,17,20,23,26,32,35,38,41,44,47,50,53,56,59,62,65-henicosaoxo-15,33-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,31,34,37,40,43,46,49,52,55,58,61,64-henicosazatricyclo(64.3.0.027,31)nonahexacontan-24-yl)propanoic acid 结构式
Primary record

3-(18,57-dibenzyl-9,63-di(butan-2-yl)-3-(1-hydroxyethyl)-60-(hydroxymethyl)-21,54-bis((4-hydroxyphenyl)methyl)-36-(1H-imidazol-5-ylmethyl)-42-methyl-2,5,8,11,14,17,20,23,26,32,35,38,41,44,47,50,53,56,59,62,65-henicosaoxo-15,33-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,31,34,37,40,43,46,49,52,55,58,61,64-henicosazatricyclo(64.3.0.027,31)nonahexacontan-24-yl)propanoic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
139584748
SMILES
CCC(C)C1C(=O)NCC(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NCC(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N3CCCC3C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)C(C)C)CC4=CC=CC=C4)CC5=CC=C(C=C5)O)CCC(=O)O)C(C)C)CC6=CN=CN6)C)CC7=CC=C(C=C7)O)CC8=CC=CC=C8)CO)C(C)CC)C(C)O
Canonical SMILES
CCC(C)C1NC(=O)CNC(=O)C(C(C)C)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CCC(=O)O)NC(=O)C2CCCN2C(=O)C(C(C)C)NC(=O)C(Cc2cnc[nH]2)NC(=O)CNC(=O)C(C)NC(=O)CNC(=O)CNC(=O)CNC(=O)C(Cc2ccc(O)cc2)NC(=O)C(Cc2ccccc2)NC(=O)C(CO)NC(=O)C(C(C)CC)NC(=O)C2CCCN2C(=O)C(C(C)O)NC(=O)CNC1=O

名称与同义词

  • Microcin J25
  • MccJ25
  • RefChem:158533
  • CHEBI:203056
  • BAT-011950
  • 3-(18,57-dibenzyl-9,63-di(butan-2-yl)-3-(1-hydroxyethyl)-60-(hydroxymethyl)-21,54-bis((4-hydroxyphenyl)methyl)-36-(1H-imidazol-5-ylmethyl)-42-methyl-2,5,8,11,14,17,20,23,26,32,35,38,41,44,47,50,53,56,59,62,65-henicosaoxo-15,33-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,31,34,37,40,43,46,49,52,55,58,61,64-henicosazatricyclo(64.3.0.027,31)nonahexacontan-24-yl)propanoic acid
  • 3-[18,57-dibenzyl-9,63-di(butan-2-yl)-3-(1-hydroxyethyl)-60-(hydroxymethyl)-21,54-bis[(4-hydroxyphenyl)methyl]-36-(1H-imidazol-5-ylmethyl)-42-methyl-2,5,8,11,14,17,20,23,26,32,35,38,41,44,47,50,53,56,59,62,65-henicosaoxo-15,33-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,31,34,37,40,43,46,49,52,55,58,61,64-henicosazatricyclo[64.3.0.027,31]nonahexacontan-24-yl]propanoic acid