Name: hemagglutinin precursor (114-122) amide [Influenza A virus]
Rating: 5 (10 reviews)

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HIT ID:HIT212709506
Cas No:
常用名:hemagglutinin precursor (114-122) amide [Influenza A virus]
常用名:hemagglutinin precursor (114-122) amide [Influenza A virus]
IUPAC:3-{[1-(2-{2-[2-({1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl}formamido)-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido}-3-methylbutanoyl)pyrrolidin-2-yl]formamido}-3-({1-[(1-carbamoylethyl)carbamoyl]-2-(4-hydroxyphenyl)ethyl}carbamoyl)propanoic acid
IUPAC:3-{[1-(2-{2-[2-({1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl}formamido)-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido}-3-methylbutanoyl)pyrrolidin-2-yl]formamido}-3-({1-[(1-carbamoylethyl)carbamoyl]-2-(4-hydroxyphenyl)ethyl}carbamoyl)propanoic acid
InChI key:HDADJJYHFITZNM-UHFFFAOYSA-N

分子式:C53H68N10O16
分子量:1101.181
氢键供体数 (HBD):13
氢键受体数 (HBA):17
LogP:-4.0688677
SMILES:CC(C)C(NC(=O)C(CC(O)=O)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(N)Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C)C(N)=O
SMILES:CC(C)C(NC(=O)C(CC(O)=O)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(N)Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C)C(N)=O

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