Chemical Compound

(2R)-4-{[(1S)-1-{[(1R)-1-{[(1R)-1-carboxyethyl]carbamoyl}ethyl]carbamoyl}-5-[({4-[5-(dimethylamino)naphthalene-1-amido]phenyl}carbamothioyl)amino]pentyl]carbamoyl}-2-[(2S)-2-[(2R)-2-{[(2R,3R,4R,5S,6R)-2-({[({[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanamido]propanamido]butanoic acid

(2R)-4-{[(1S)-1-{[(1R)-1-{[(1R)-1-carboxyethyl]carbamoyl}ethyl]carbamoyl}-5-[({4-[5-(dimethylamino)naphthalene-1-amido]phenyl}carbamothioyl)amino]pentyl]carbamoyl}-2-[(2S)-2-[(2R)-2-{[(2R,3R,4R,5S,6R)-2-({[({[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanamido]propanamido]butanoic acid 结构式
Primary record

(2R)-4-{[(1S)-1-{[(1R)-1-{[(1R)-1-carboxyethyl]carbamoyl}ethyl]carbamoyl}-5-[({4-[5-(dimethylamino)naphthalene-1-amido]phenyl}carbamothioyl)amino]pentyl]carbamoyl}-2-[(2S)-2-[(2R)-2-{[(2R,3R,4R,5S,6R)-2-({[({[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanamido]propanamido]butanoic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
102138383
SMILES
C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(=S)NC1=CC=C(C=C1)NC(=O)C2=CC=CC3=C2C=CC=C3N(C)C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]4[C@H]([C@H](O[C@@H]([C@H]4O)CO)OP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=CC(=O)NC6=O)O)O)NC(=O)C
Canonical SMILES
CC(=O)N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(=S)Nc1ccc(NC(=O)c2cccc3c(N(C)C)cccc23)cc1)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O)C(=O)O

名称与同义词

  • J3.306.623F
  • (2R)-4-{[(1S)-1-{[(1R)-1-{[(1R)-1-carboxyethyl]carbamoyl}ethyl]carbamoyl}-5-[({4-[5-(dimethylamino)naphthalene-1-amido]phenyl}carbamothioyl)amino]pentyl]carbamoyl}-2-[(2S)-2-[(2R)-2-{[(2R,3R,4R,5S,6R)-2-({[({[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanamido]propanamido]butanoic acid
  • [(2R)-2-[1-[[[(5 -Uridyloxy)hydroxyphosphinyl]oxy]hydroxyphosphinyloxy]-2-(acetylamino)-1,2,3-trideoxy-alpha-D-glucopyranose-3-yloxy]propionyl]-L-Ala-D-gammaGlu-N6-[[4-[[5-(dimethylamino)-1-naphthylcarbonyl]amino]phenyl]thiocarbamoyl]-L-Lys-D-Ala-D-Ala-OH ester