Name: Aurein 2.2
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218851714
Cas No:302343-04-0
常用名:Aurein 2.2
IUPAC:(3S)-3-{[(1S,2S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}-2-hydroxyethyl]carbamoyl}methyl)carbamoyl]-3-methylbutyl]carbamoyl}ethyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}-2-methylpropyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}-2-methylpropyl]carbamoyl}-2-methylbutyl]carbamoyl}-3-[(2S)-2-[(2S)-2-(2-aminoacetamido)-4-methylpentanamido]-3-phenylpropanamido]propanoic acid
IUPAC:(3S)-3-{[(1S,2S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}-2-hydroxyethyl]carbamoyl}methyl)carbamoyl]-3-methylbutyl]carbamoyl}ethyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}-2-methylpropyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}-2-methylpropyl]carbamoyl}-2-methylbutyl]carbamoyl}-3-[(2S)-2-[(2S)-2-(2-aminoacetamido)-4-methylpentanamido]-3-phenylpropanamido]propanoic acid
InChI key:RHKXKZPHWWEIOV-UJOXCNDQSA-N

分子式:C76H131N19O19
分子量:1614.998
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(N)=O
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(N)=O

Aurein 2.2是来自L.aurea皮肤分泌物的主要成分，具有广谱的抗菌活性，特别是对金黄色葡萄球菌(Staphylococcus aureus)及其他革兰氏阳性菌效果显著的抗生素。

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