Chemical Compound

3-(12-{2-[(1S,4R,4aS,7R,8S,8aR)-1-(acetyloxy)-8a-hydroxy-4,7-dimethyl-3-oxo-octahydro-1H-2-benzopyran-8-yl]ethyl}-20-(2-carboxyethyl)-9,14-diethenyl-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17,19-undecaen-4-yl)propanoic acid

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3-(12-{2-[(1S,4R,4aS,7R,8S,8aR)-1-(acetyloxy)-8a-hydroxy-4,7-dimethyl-3-oxo-octahydro-1H-2-benzopyran-8-yl]ethyl}-20-(2-carboxyethyl)-9,14-diethenyl-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17,19-undecaen-4-yl)propanoic acid 结构式
Primary record

3-(12-{2-[(1S,4R,4aS,7R,8S,8aR)-1-(acetyloxy)-8a-hydroxy-4,7-dimethyl-3-oxo-octahydro-1H-2-benzopyran-8-yl]ethyl}-20-(2-carboxyethyl)-9,14-diethenyl-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17,19-undecaen-4-yl)propanoic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
101112586
SMILES
C[C@@H]1CC[C@H]2[C@H](C(=O)O[C@@H]([C@]2([C@H]1CCC3=C4C(=C(C(=N4)C=C5C(=C(C(=CC6=C(C(=C(N6)C=C7C(=C(C3=N7)C)C=C)C)CCC(=O)O)N5)CCC(=O)O)C)C)C=C)O)OC(=O)C)C
Canonical SMILES
C=CC1=C(C)c2nc1cc1[nH]c(cc3[nH]c(cc4nc(c2CC[C@H]2[C@H](C)CC[C@H]5[C@@H](C)C(=O)O[C@H](OC(C)=O)[C@@]25O)C(C=C)=C4C)c(C)c3CCC(=O)O)c(CCC(=O)O)c1C

名称与同义词

  • J1.546.714B
  • 3-(12-{2-[(1S,4R,4aS,7R,8S,8aR)-1-(acetyloxy)-8a-hydroxy-4,7-dimethyl-3-oxo-octahydro-1H-2-benzopyran-8-yl]ethyl}-20-(2-carboxyethyl)-9,14-diethenyl-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17,19-undecaen-4-yl)propanoic acid
  • 5-[2-[(1S,4abeta)-1beta-Acetoxy-4alpha,7beta-dimethyl-3-oxo-8abeta-hydroxyoctahydro-1H-2-benzopyran-8alpha-yl]ethyl]protoporphyrin