tert-butyl 2-(2-{[1-(4-{N,3-dimethyl-2-[3-methyl-2-(methylamino)butanamido]butanamido}-3-methoxy-5-methylheptanoyl)pyrrolidin-2-yl](methoxy)methyl}propanamido)-3-phenylpropanoate

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218832693
Cas No:
常用名:tert-butyl 2-(2-{[1-(4-{N,3-dimethyl-2-[3-methyl-2-(methylamino)butanamido]butanamido}-3-methoxy-5-methylheptanoyl)pyrrolidin-2-yl](methoxy)methyl}propanamido)-3-phenylpropanoate
常用名:tert-butyl 2-(2-{[1-(4-{N,3-dimethyl-2-[3-methyl-2-(methylamino)butanamido]butanamido}-3-methoxy-5-methylheptanoyl)pyrrolidin-2-yl](methoxy)methyl}propanamido)-3-phenylpropanoate
IUPAC:tert-butyl 2-(2-{[1-(4-{N,3-dimethyl-2-[3-methyl-2-(methylamino)butanamido]butanamido}-3-methoxy-5-methylheptanoyl)pyrrolidin-2-yl](methoxy)methyl}propanamido)-3-phenylpropanoate
IUPAC:tert-butyl 2-(2-{[1-(4-{N,3-dimethyl-2-[3-methyl-2-(methylamino)butanamido]butanamido}-3-methoxy-5-methylheptanoyl)pyrrolidin-2-yl](methoxy)methyl}propanamido)-3-phenylpropanoate
InChI key:HMBFRLXQUOOKLK-UHFFFAOYSA-N

分子式:C43H73N5O8
分子量:788.084
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(Cc1ccccc1)C(=O)OC(C)(C)C)OC)N(C)C(=O)C(NC(=O)C(NC)C(C)C)C(C)C
SMILES:CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(Cc1ccccc1)C(=O)OC(C)(C)C)OC)N(C)C(=O)C(NC(=O)C(NC)C(C)C)C(C)C

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