Name: WT-1 A1
Rating: 5 (10 reviews)

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HIT ID:HIT212719013
Cas No:852243-39-1
常用名:WT-1 A1
别名:Tyr-Met-Phe-Pro-agn-Ala-Pro-Tyr-Leu
IUPAC:(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}-3-carbamoylpropanamido]propanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-4-methylpentanoic acid
IUPAC:(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}-3-carbamoylpropanamido]propanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-4-methylpentanoic acid
InChI key:IBNSYSWDJJQKSY-PJYANRIDSA-N

分子式:C55H74N10O13S
分子量:1115.31
氢键供体数 (HBD):11
氢键受体数 (HBA):14
LogP:-1.7740408
SMILES:CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(O)=O
SMILES:CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(O)=O

WT-1 A1 is an attractive target for immunotherapy in patients with pancreatic adenocarcinoma.

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