Name: Chrysospermin B
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219600182
Cas No:160791-54-8
常用名:Chrysospermin B
IUPAC:2-[2-(2-{2-[2-(2-{2-[2-(2-{2-[2-(4-carbamoyl-2-{2-[2-(2-{2-[2-(2-acetamido-3-phenylpropanamido)-2-methylpropanamido]-3-hydroxypropanamido}-2-methylpropanamido)-2-methylpropanamido]-4-methylpentanamido}butanamido)acetamido]-2-methylpropanamido}-2-methylpropanamido)propanamido]propanamido}-2-methylpropanamido)-2-methylbutanamido]-2-methylpropanamido}-2-methylpropanamido)-2-methylpropanamido]-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pentanediamide
IUPAC:2-[2-(2-{2-[2-(2-{2-[2-(2-{2-[2-(4-carbamoyl-2-{2-[2-(2-{2-[2-(2-acetamido-3-phenylpropanamido)-2-methylpropanamido]-3-hydroxypropanamido}-2-methylpropanamido)-2-methylpropanamido]-4-methylpentanamido}butanamido)acetamido]-2-methylpropanamido}-2-methylpropanamido)propanamido]propanamido}-2-methylpropanamido)-2-methylbutanamido]-2-methylpropanamido}-2-methylpropanamido)-2-methylpropanamido]-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pentanediamide
InChI key:WWARUSJGNRGPLH-UHFFFAOYSA-N

分子式:C90H142N22O23
分子量:1900.257
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCC(C)(NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)CNC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(CO)NC(=O)C(C)(C)NC(=O)C(Cc1ccccc1)NC(C)=O)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(N)=O)C(=O)NC(CO)Cc1c[nH]c2ccccc12
SMILES:CCC(C)(NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)CNC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(CO)NC(=O)C(C)(C)NC(=O)C(Cc1ccccc1)NC(C)=O)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(N)=O)C(=O)NC(CO)Cc1c[nH]c2ccccc12

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