Name: EGFRvIII peptide (PEPvIII)
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT218698000
Cas No:129112-17-0
常用名:EGFRvIII peptide (PEPvIII)
别名:EGFRvIII peptide PEPvIII
IUPAC:(4S)-4-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-[({[(1S)-2-carbamoyl-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S,2R)-1-{[(1S)-2-carboxy-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-methylpropyl]carbamoyl}-2-methylpropyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}ethyl]carbamoyl}methyl)carbamoyl]pentyl]carbamoyl}pentyl]carbamoyl}-3-carboxypropyl]carbamoyl}-4-[(2S)-2-amino-4-methylpentanamido]butanoic acid
IUPAC:(4S)-4-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-[({[(1S)-2-carbamoyl-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S,2R)-1-{[(1S)-2-carboxy-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-methylpropyl]carbamoyl}-2-methylpropyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}ethyl]carbamoyl}methyl)carbamoyl]pentyl]carbamoyl}pentyl]carbamoyl}-3-carboxypropyl]carbamoyl}-4-[(2S)-2-amino-4-methylpentanamido]butanoic acid
InChI key:SPTJJLROEVHISZ-FNVAVSIXSA-N

分子式:C70H111N19O24S
分子量:1634.83
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(C)C)C(C)C)C(C)C)([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CS)C(O)=O
SMILES:[H][C@](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(C)C)C(C)C)C(C)C)([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CS)C(O)=O

PEPvIII, a peptide sequence from EGFRvIII, was designed to represent a target of glioma and is presented by MHC I/II complexes.

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