Name: Cgp 44099
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317896
Cas No:128856-81-5
常用名:Cgp 44099
别名:Cgp-44099, Cgp44099
IUPAC:methyl 2-[2-(5-{2-[2-({1-[2-(2-{[(benzyloxy)carbonyl]amino}-5-carbamimidamidopentanamido)-5-carbamimidamidopentanoyl]pyrrolidin-2-yl}formamido)-3-phenylpropanamido]-3-methylbutanamido}-6-cyclohexyl-4-hydroxy-2-(propan-2-yl)hexanamido)-3-methylbutanamido]-3-(4-hydroxyphenyl)propanoate
IUPAC:methyl 2-[2-(5-{2-[2-({1-[2-(2-{[(benzyloxy)carbonyl]amino}-5-carbamimidamidopentanamido)-5-carbamimidamidopentanoyl]pyrrolidin-2-yl}formamido)-3-phenylpropanamido]-3-methylbutanamido}-6-cyclohexyl-4-hydroxy-2-(propan-2-yl)hexanamido)-3-methylbutanamido]-3-(4-hydroxyphenyl)propanoate
InChI key:YUXPQHJPUCVLDD-UHFFFAOYSA-N

分子式:C69H104N14O13
分子量:1337.676
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(CC(O)C(CC1CCCCC1)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)OCc1ccccc1)C(C)C)C(C)C)C(C)C
SMILES:COC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(CC(O)C(CC1CCCCC1)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)OCc1ccccc1)C(C)C)C(C)C)C(C)C

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