Name: Crosstide
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212761328
Cas No:171783-05-4
常用名:Crosstide
IUPAC:(4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-{[(2S)-1-[(2S)-2-(2-aminoacetamido)-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-3-hydroxybutanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-3-phenylpropanamido]propanamido]-4-[(carboxymethyl)carbamoyl]butanoic acid
IUPAC:(4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-{[(2S)-1-[(2S)-2-(2-aminoacetamido)-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-3-hydroxybutanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-3-phenylpropanamido]propanamido]-4-[(carboxymethyl)carbamoyl]butanoic acid
InChI key:KJAXEBRGQOHHOY-VXRVIWLSSA-N

分子式:C48H77N17O17
分子量:1164.246
氢键供体数 (HBD):21
氢键受体数 (HBA):24
LogP:-13.359856
SMILES:C[C@@H](O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(O)=O
SMILES:C[C@@H](O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(O)=O

Crosstide is a peptide analog of glycogen synthase kinase-3 (GSK-3) and serves as a natural substrate for Akt/PKB.

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