Chemical Compound
(4R)-4-{[(1S,2R)-3-{[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-2-(benzoyloxy)-1-hydroxy-10,14,17,17-tetramethyl-9-[(3-methylbutanoyl)oxy]-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy}-2-[(3-methylbutanoyl)oxy]-3-oxo-1-phenylpropyl]carbamoyl}-4-{[4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)phenyl]formamido}butanoic acid
Primary record
(4R)-4-{[(1S,2R)-3-{[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-2-(benzoyloxy)-1-hydroxy-10,14,17,17-tetramethyl-9-[(3-methylbutanoyl)oxy]-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy}-2-[(3-methylbutanoyl)oxy]-3-oxo-1-phenylpropyl]carbamoyl}-4-{[4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)phenyl]formamido}butanoic acid
- 库存
- 550 克
- 纯度
- 98.1 %
化合物标识与属性
- PubChem CID
- 101015928
- SMILES
- CC1=NN(C(=O)C1)C2=CC=C(C=C2)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](C3=CC=CC=C3)[C@H](C(=O)O[C@H]4C[C@]5([C@H]([C@H]6[C@@]([C@H](C[C@@H]7[C@]6(CO7)OC(=O)C)OC(=O)CC(C)C)(C(=O)[C@@H](C(=C4C)C5(C)C)OC(=O)C)C)OC(=O)C8=CC=CC=C8)O)OC(=O)CC(C)C
- Canonical SMILES
- CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)CC(C)C)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](OC(=O)CC(C)C)[C@@H](NC(=O)[C@@H](CCC(=O)O)NC(=O)c3ccc(N4N=C(C)CC4=O)cc3)c3ccccc3)C(C)=C1C2(C)C
名称与同义词
- J1.268.781H
- (4R)-4-{[(1S,2R)-3-{[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-2-(benzoyloxy)-1-hydroxy-10,14,17,17-tetramethyl-9-[(3-methylbutanoyl)oxy]-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy}-2-[(3-methylbutanoyl)oxy]-3-oxo-1-phenylpropyl]carbamoyl}-4-{[4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)phenyl]formamido}butanoic acid
- (R)-4-[4-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazole-1-yl)benzoylamino]-5-oxo-5-[[(1S,2R)-1-phenyl-2-(3-methylbutyryloxy)-3-oxo-3-[[1-hydroxy-2alpha-(benzoyloxy)-4,10beta-diacetoxy-7beta-(3-methylbutyryloxy)-9-oxo-5beta,20-epoxytaxa-11-ene-13alpha-yl]oxy]propyl]amino]pentanoic acid