Chemical Compound

methyl 3-[(21S,22S)-16-acetyl-19-[2-(4-{2-[(11S,12R,21S,22S)-16-acetyl-11-ethyl-11,12-dihydroxy-22-(3-methoxy-3-oxopropyl)-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,13(25),14,16,18,20(23)-nonaen-19-yl]ethynyl}phenyl)ethynyl]-11-ethyl-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19-decaen-22-yl]propanoate

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methyl 3-[(21S,22S)-16-acetyl-19-[2-(4-{2-[(11S,12R,21S,22S)-16-acetyl-11-ethyl-11,12-dihydroxy-22-(3-methoxy-3-oxopropyl)-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,13(25),14,16,18,20(23)-nonaen-19-yl]ethynyl}phenyl)ethynyl]-11-ethyl-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19-decaen-22-yl]propanoate 结构式
Primary record

methyl 3-[(21S,22S)-16-acetyl-19-[2-(4-{2-[(11S,12R,21S,22S)-16-acetyl-11-ethyl-11,12-dihydroxy-22-(3-methoxy-3-oxopropyl)-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,13(25),14,16,18,20(23)-nonaen-19-yl]ethynyl}phenyl)ethynyl]-11-ethyl-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19-decaen-22-yl]propanoate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177583288
SMILES
CCC1=C(C2=NC1=CC3=C(C4=C(CC(=C5[C@H]([C@@H](C(=C(C6=NC(=C2)C(=C6C)C(=O)C)C#CC7=CC=C(C=C7)C#CC8=C9[C@H]([C@@H](C(=N9)C1=C2C(=C(C(=CC6=NC(=CC7=C(C(=C8N7)C)C(=O)C)[C@@]([C@@]6(CC)O)(C)O)N2)C)C(=O)C1)CCC(=O)OC)C)N5)C)CCC(=O)OC)C4=N3)O)C)C
Canonical SMILES
CCC1=C(C)C2=NC1=CC1=C(C)C3=C(O)CC(=C4NC(=C(C#Cc5ccc(C#Cc6c7nc(c8c9[nH]c(cc%10nc(cc%11[nH]c6c(C)c%11C(C)=O)[C@@](C)(O)[C@]%10(O)CC)c(C)c9C(=O)C8)[C@@H](CCC(=O)OC)[C@@H]7C)cc5)C5=NC(=C2)C(C(C)=O)=C5C)[C@@H](C)[C@@H]4CCC(=O)OC)C3=N1

名称与同义词

  • J3.726.998K
  • 7beta,8beta-Dihydroxy-7,8-dihydro[20,20 -[1,4-phenylenebis(ethyne-1,2-diyl)]bis(3-acetyl-3-deethylphytochlorin methyl)] ester
  • methyl 3-[(21S,22S)-16-acetyl-19-[2-(4-{2-[(11S,12R,21S,22S)-16-acetyl-11-ethyl-11,12-dihydroxy-22-(3-methoxy-3-oxopropyl)-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,13(25),14,16,18,20(23)-nonaen-19-yl]ethynyl}phenyl)ethynyl]-11-ethyl-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19-decaen-22-yl]propanoate