Name: ImmTher
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219586601
Cas No:143005-30-5
常用名:ImmTher
IUPAC:(2S)-1-{N-[(1S)-1-{[(2R)-2-[(2S)-2-aminopropanamido]-4-carbamoylbutanoyl]carbamoyl}ethyl]-2-{[(2S,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanamido}-3-(hexadecanoyloxy)propan-2-yl hexadecanoate
IUPAC:(2S)-1-{N-[(1S)-1-{[(2R)-2-[(2S)-2-aminopropanamido]-4-carbamoylbutanoyl]carbamoyl}ethyl]-2-{[(2S,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanamido}-3-(hexadecanoyloxy)propan-2-yl hexadecanoate
InChI key:BMAIVTZQNNNINA-HNQORNRBSA-N

分子式:C65H117N7O20
分子量:1316.68
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCCCCCCCCCCCCCCC(=O)OC[C@H](CN([C@@H](C)C(=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](C)N)C(=O)C(C)O[C@@H]1[C@@H](NC(C)=O)[C@@H](O)O[C@H](CO)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)OC(=O)CCCCCCCCCCCCCCC
SMILES:CCCCCCCCCCCCCCCC(=O)OC[C@H](CN([C@@H](C)C(=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](C)N)C(=O)C(C)O[C@@H]1[C@@H](NC(C)=O)[C@@H](O)O[C@H](CO)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)OC(=O)CCCCCCCCCCCCCCC

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