Name: Cerexin B4
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219599671
Cas No:70943-84-9
常用名:Cerexin B4
IUPAC:2-(2-{2-[2-(6-amino-2-{3-carbamoyl-2-[3-carbamoyl-2-(2-{2-[3-carbamoyl-2-(3-hydroxy-9-methyldecanamido)propanamido]-3-methylbutanamido}-3-phenylpropanamido)propanamido]propanamido}-4-hydroxyhexanamido)-3-hydroxybutanamido]acetamido}-3-(1H-indol-3-yl)propanamido)-3-methylpentanoic acid
IUPAC:2-(2-{2-[2-(6-amino-2-{3-carbamoyl-2-[3-carbamoyl-2-(2-{2-[3-carbamoyl-2-(3-hydroxy-9-methyldecanamido)propanamido]-3-methylbutanamido}-3-phenylpropanamido)propanamido]propanamido}-4-hydroxyhexanamido)-3-hydroxybutanamido]acetamido}-3-(1H-indol-3-yl)propanamido)-3-methylpentanoic acid
InChI key:BJUDIRCOMXHHOB-UHFFFAOYSA-N

分子式:C66H101N15O18
分子量:1392.621
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCC(C)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(NC(=O)C(CC(O)CCN)NC(=O)C(CC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CC(N)=O)NC(=O)CC(O)CCCCCC(C)C)C(C)C)C(C)O)C(O)=O
SMILES:CCC(C)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(NC(=O)C(CC(O)CCN)NC(=O)C(CC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CC(N)=O)NC(=O)CC(O)CCCCCC(C)C)C(C)C)C(C)O)C(O)=O

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