HIT218698819 - (2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]hexanamido]-3-carboxypropanamido]-3-(3H-imidazol-4-yl)propanamido]-3-carboxypropanamido]acetamido}-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]hexanamido]-3-carboxypropanamido]-3-(3H-imidazol-4-yl)propanamido]-3-carboxypropanamido]-3-methylpentanamido]-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]hexanamido]-3-carboxypropanamido]-3-carboxypropanamido]-3-carboxypropanamido]-3-carboxypropanamido]hexanoic acid, 3X FLAG peptide

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]hexanamido]-3-carboxypropanamido]-3-(3H-imidazol-4-yl)propanamido]-3-carboxypropanamido]acetamido}-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]hexanamido]-3-carboxypropanamido]-3-(3H-imidazol-4-yl)propanamido]-3-carboxypropanamido]-3-methylpentanamido]-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]hexanamido]-3-carboxypropanamido]-3-carboxypropanamido]-3-carboxypropanamido]-3-carboxypropanamido]hexanoic acid, 3X FLAG peptide

sdf文件结构编辑类似物检索

HIT ID: HIT218698819

Cas No: 402750-12-3

分子式: C120H169N31O49S

分子量: 2861.9

常用名: (2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]hexanamido]-3-carboxypropanamido]-3-(3H-imidazol-4-yl)propanamido]-3-carboxypropanamido]acetamido}-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]hexanamido]-3-carboxypropanamido]-3-(3H-imidazol-4-yl)propanamido]-3-carboxypropanamido]-3-methylpentanamido]-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]hexanamido]-3-carboxypropanamido]-3-carboxypropanamido]-3-carboxypropanamido]-3-carboxypropanamido]hexanoic acid, 3X FLAG peptide

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: (2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]hexanamido]-3-carboxypropanamido]-3-(1H-imidazol-5-yl)propanamido]-3-carboxypropanamido]acetamido}-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]hexanamido]-3-carboxypropanamido]-3-(1H-imidazol-5-yl)propanamido]-3-carboxypropanamido]-3-methylpentanamido]-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]hexanamido]-3-carboxypropanamido]-3-carboxypropanamido]-3-carboxypropanamido]-3-carboxypropanamido]hexanoic acid

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(O)=O

InChI key: SNXSKDGBSPFDDR-ASSVVPLUSA-N