Name: ErbB2 peptide
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT220772503
Cas No:325791-52-4
常用名:ErbB2 peptide
IUPAC:(4S)-4-[(2S)-2-[(2S)-2-{[(2S)-1-[(2R)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[2-(2-{[(2S)-1-(2-aminoacetyl)pyrrolidin-2-yl]formamido}acetamido)acetamido]-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]propanamido]propanamido]-4-(methylsulfanyl)butanamido]acetamido}propanamido]-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}propanamido]-3-hydroxypropanamido]-4-{[(1S)-1-[({[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carboxyethyl]carbamoyl}butyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-3-carboxypropyl]carbamoyl}-3-carboxypropyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}methyl)carbamoyl]-3-carbamoylpropyl]carbamoyl}butanoic acid
IUPAC:(4S)-4-[(2S)-2-[(2S)-2-{[(2S)-1-[(2R)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[2-(2-{[(2S)-1-(2-aminoacetyl)pyrrolidin-2-yl]formamido}acetamido)acetamido]-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]propanamido]propanamido]-4-(methylsulfanyl)butanamido]acetamido}propanamido]-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}propanamido]-3-hydroxypropanamido]-4-{[(1S)-1-[({[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carboxyethyl]carbamoyl}butyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-3-carboxypropyl]carbamoyl}-3-carboxypropyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}methyl)carbamoyl]-3-carbamoylpropyl]carbamoyl}butanoic acid
InChI key:InChIKey=QIGZXAXUJMIKOM-CRGVXQSESA-N

分子式:C99H148N28O37S3
分子量:2418.61
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(O)=O
SMILES:CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(O)=O

ErbB2 peptide 是一种靶向PI3K的E3泛素连接酶肽配体，常用于合成肽PROTACs。

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