Name: Gramicidin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212650202
Cas No:1405-97-6
常用名:Gramicidin
别名:短杆菌肽, Gramicidinum, Gramicidine, Gramicidina
别名:短杆菌肽, Gramicidinum, Gramicidine, Gramicidina
IUPAC:(2R)-N-[(1S)-1-{[(1R)-1-{[(1S)-1-{[(1R)-1-{[(1S)-1-[(2-hydroxyethyl)carbamoyl]-2-(1H-indol-3-yl)ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-[(2S)-2-{2-[(2S)-2-formamido-3-methylbutanamido]acetamido}propanamido]-4-methylpentanamido]propanamido]-3-methylbutanamido]-3-methylbutanamido]-3-methylbutanamido]propanamido]-4-methylpentanamide
IUPAC:(2R)-N-[(1S)-1-{[(1R)-1-{[(1S)-1-{[(1R)-1-{[(1S)-1-[(2-hydroxyethyl)carbamoyl]-2-(1H-indol-3-yl)ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-[(2S)-2-{2-[(2S)-2-formamido-3-methylbutanamido]acetamido}propanamido]-4-methylpentanamido]propanamido]-3-methylbutanamido]-3-methylbutanamido]-3-methylbutanamido]propanamido]-4-methylpentanamide
InChI key:ZWCXYZRRTRDGQE-SORVKSEFSA-N

分子式:C99H140N20O17
分子量:1882.332
氢键供体数 (HBD):21
氢键受体数 (HBA):17
LogP:9.423
SMILES:CC(C)C[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC=O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCO
SMILES:CC(C)C[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC=O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCO

Gramicidin (Gramicidine) 是一种抗菌肽，Gramicidin 二聚体在细菌和动物细胞的细胞膜和细胞器中形成离子通道样孔，使得无机一价离子，如钾离子和钠离子可以通过扩散自由穿过这些孔，破坏了膜之间重要的离子梯度，从而通过各种作用杀死细胞。Gramicidin 对枯草芽孢杆菌和金黄色葡萄球菌等革兰氏阳性细菌有效，但对大肠杆菌等革兰氏阴性细菌效果不佳。

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