Name: Integrin signaling inhibitor, mP13
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT217584718
Cas No:
常用名:Integrin signaling inhibitor, mP13
常用名:Integrin signaling inhibitor, mP13
IUPAC:(4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-2-carboxy-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}pentyl]carbamoyl}ethyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}ethyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-3-carboxypropyl]carbamoyl}-3-carboxypropyl]carbamoyl}-4-[(2S)-2-[(2S)-6-amino-2-tetradecanamidohexanamido]-3-phenylpropanamido]butanoic acid
IUPAC:(4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-2-carboxy-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}pentyl]carbamoyl}ethyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}ethyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-3-carboxypropyl]carbamoyl}-3-carboxypropyl]carbamoyl}-4-[(2S)-2-[(2S)-6-amino-2-tetradecanamidohexanamido]-3-phenylpropanamido]butanoic acid
InChI key:NDFZTZGCDNEAGC-HZZQDVTPSA-N

分子式:C87H138N22O24
分子量:1876.191
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
SMILES:CCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O

Integrinsignaling inhibitor, mP13 是抑制整合素信号传导，阻止内向外和外向内信号传递，涉及纤维蛋白原结合、血小板粘附及凝块收缩的化合物。

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