Name: Duostatin 5
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT217583138
Cas No:2124210-34-8
常用名:Duostatin 5
IUPAC:(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-2-{[(2S)-1-(4-aminophenyl)-3-azidopropan-2-yl]carbamoyl}-1-methoxy-2-methylethyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-2-[(2S)-2-(dimethylamino)-3-methylbutanamido]-N,3-dimethylbutanamide
IUPAC:(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-2-{[(2S)-1-(4-aminophenyl)-3-azidopropan-2-yl]carbamoyl}-1-methoxy-2-methylethyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-2-[(2S)-2-(dimethylamino)-3-methylbutanamido]-N,3-dimethylbutanamide
InChI key:QIHHTRNUHMRKQK-MNFMTBGBSA-N

分子式:C40H69N9O6
分子量:772.049
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1(CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C)[C@H](OC)[C@@H](C)C(=O)N[C@H](CN=[N+]=[N-])Cc1ccc(N)cc1
SMILES:[H][C@]1(CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C)[C@H](OC)[C@@H](C)C(=O)N[C@H](CN=[N+]=[N-])Cc1ccc(N)cc1

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