Name: HBV/HDV-IN-5
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT220772181
Cas No:103528-66-1
常用名:HBV/HDV-IN-5
IUPAC:(2S)-2-[(4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11S,11aR)-7,11-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]-3-(4-hydroxyphenyl)propanoic acid
IUPAC:(2S)-2-[(4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11S,11aR)-7,11-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]-3-(4-hydroxyphenyl)propanoic acid
InChI key:InChIKey=NABZNAJLBCRTJM-LAYWWTAYSA-N

分子式:C33H49NO6
分子量:555.756
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
SMILES:[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O

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