Name: Flagelin 22
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219468844
Cas No:304642-91-9
常用名:Flagelin 22
别名:Flagellin 22
IUPAC:(3S)-3-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-{2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-4-methylpentanamido]-3-hydroxypropanamido]-3-hydroxybutanamido]acetamido}-3-hydroxypropanamido]-5-carbamimidamidopentanamido]-3-methylpentanamido]-3-carbamoylpropanamido]-3-hydroxypropanamido]propanamido]hexanamido]-3-carboxypropanamido]-3-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-3-carbamoyl-1-{[(1S,2S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-methylbutyl]carbamoyl}propyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]ethyl]carbamoyl}ethyl]carbamoyl}propanoic acid
IUPAC:(3S)-3-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-{2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-4-methylpentanamido]-3-hydroxypropanamido]-3-hydroxybutanamido]acetamido}-3-hydroxypropanamido]-5-carbamimidamidopentanamido]-3-methylpentanamido]-3-carbamoylpropanamido]-3-hydroxypropanamido]propanamido]hexanamido]-3-carboxypropanamido]-3-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-3-carbamoyl-1-{[(1S,2S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-methylbutyl]carbamoyl}propyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]ethyl]carbamoyl}ethyl]carbamoyl}propanoic acid
InChI key:APMFZSYJLNYAAU-SRQOELEMSA-N

分子式:C93H162N32O34
分子量:2272.509
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](C)C(O)=O
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](C)C(O)=O

Flagelin 22, a bacterial flagellin fragment, serves as a potent elicitor for plants and algae.

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