Chemical Compound

(4S)-4-[[(2S)-2-acetamido-4-hydroxy-4-oxobutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-4,4-difluoro-1-oxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-1-oxo-3,3-diphenylpropan-2-yl]amino]-5-oxopentanoic acid

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(4S)-4-[[(2S)-2-acetamido-4-hydroxy-4-oxobutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-4,4-difluoro-1-oxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-1-oxo-3,3-diphenylpropan-2-yl]amino]-5-oxopentanoic acid 结构式
Primary record

(4S)-4-[[(2S)-2-acetamido-4-hydroxy-4-oxobutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-4,4-difluoro-1-oxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-1-oxo-3,3-diphenylpropan-2-yl]amino]-5-oxopentanoic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
493288
SMILES
CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC3CCCCC3)C(=O)N[C@@H](CC(F)F)C(=O)C4=NC5=CC=CC=C5S4
Canonical SMILES
CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)F)C(=O)c1nc2ccccc2s1)C(c1ccccc1)c1ccccc1

名称与同义词

  • AC1LAQKM
  • CHEMBL216587
  • AIDS122677
  • BDBM50110124
  • CID493288
  • J1.703.911C
  • (2S)-1-(Benzothiazole-2-yl)-2-(Ac-L-Asp-L-Glu-3,3-diphenyl-L-Ala-L-Glu-3-cyclohexyl-L-Ala-amino)-4,4-difluoro-1-butanone
  • (4S)-4-[[(2S)-2-acetamido-4-hydroxy-4-oxo-butanoyl]amino]-5-[[(1S)-1-benzhydryl-2-[[(1S)-1-[[(1S)-2-[[(1S)-1-(1,3-benzothiazole-2-carbonyl)-3,3-difluoro-propyl]amino]-1-(cyclohexylmethyl)-2-oxo-ethyl]carbamoyl]-4-hydroxy-4-oxo-butyl]amino]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
  • (4S)-4-[[(2S)-2-acetamido-4-hydroxy-4-oxobutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-4,4-difluoro-1-oxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-1-oxo-3,3-diphenylpropan-2-yl]amino]-5-oxopentanoic acid
  • (4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(2S)-1-(1,3-benzothiazol-2-yl)-4,4-difluoro-1-oxobutan-2-yl]carbamoyl}-2-cyclohexylethyl]carbamoyl}-3-carboxypropyl]carbamoyl}-2,2-diphenylethyl]carbamoyl}-4-[(2S)-3-carboxy-2-acetamidopropanamido]butanoic acid
  • (4S)-4-{N-[(1S)-1-(N-{(1S)-1-[N-((1S)-1-{N-[(1S)-2-Benzothiazol-2-yl-1-(2,2-difluoroethyl)-2-oxoethyl]carbamoyl}-2-cyclohexylethyl)carbamoyl]-3-carboxypropyl}carbamoyl)-2,2-diphenylethyl]carbamoyl}-4-[(2S)-2-(acetylamino)-3-carboxypropanoylamino]butanoic acid
  • 4-(2-Acetylamino-3-carboxy-propionylamino)-4-[1-(1-{1-[1-(benzothiazole-2-carbonyl)-3,3-difluoro-propylcarbamoyl]-2-cyclohexyl-ethylcarbamoyl}-3-carboxy-propylcarbamoyl)-2,2-diphenyl-ethylcarbamoyl]-butyric acid