Chemical Compound

methyl (2S)-2-[(5-{4-[(1R,3aS,3bR,5aS,7S,9aS,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]-1-(3-chloro-4-hydroxy-5-{[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]carbamoyl}phenyl)but-1-en-1-yl}-3-chloro-2-hydroxyphenyl)formamido]-4-methylpentanoate

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methyl (2S)-2-[(5-{4-[(1R,3aS,3bR,5aS,7S,9aS,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]-1-(3-chloro-4-hydroxy-5-{[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]carbamoyl}phenyl)but-1-en-1-yl}-3-chloro-2-hydroxyphenyl)formamido]-4-methylpentanoate 结构式
Primary record

methyl (2S)-2-[(5-{4-[(1R,3aS,3bR,5aS,7S,9aS,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]-1-(3-chloro-4-hydroxy-5-{[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]carbamoyl}phenyl)but-1-en-1-yl}-3-chloro-2-hydroxyphenyl)formamido]-4-methylpentanoate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
102461581
SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)CCC=C(C5=CC(=C(C(=C5)Cl)O)C(=O)N[C@@H](CC(C)C)C(=O)OC)C6=CC(=C(C(=C6)Cl)O)C(=O)N[C@@H](CC(C)C)C(=O)OC)C)C
Canonical SMILES
COC(=O)[C@H](CC(C)C)NC(=O)c1cc(C(=CCC[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]43)C2)c2cc(Cl)c(O)c(C(=O)N[C@@H](CC(C)C)C(=O)OC)c2)cc(Cl)c1O

名称与同义词

  • J1.422.228F
  • methyl (2S)-2-[(5-{4-[(1R,3aS,3bR,5aS,7S,9aS,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]-1-(3-chloro-4-hydroxy-5-{[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]carbamoyl}phenyl)but-1-en-1-yl}-3-chloro-2-hydroxyphenyl)formamido]-4-methylpentanoate
  • N,N -[[4-(5alpha-Cholestane-3beta-yl)-1-butenylidene]bis[(5-chloro-6-hydroxy-3,1-phenylene)carbonyl]]bis(L-leucine methyl) ester