Name: Hemagglutinin (48-68)
Rating: 5 (10 reviews)

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HIT ID:HIT218850947
Cas No:115721-95-4
常用名:Hemagglutinin (48-68)
IUPAC:(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S,3R)-2-[(2R)-2-[(2S)-2-[(2S,3S)-2-{2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2R)-2-[(2S,3S)-2-[(2S)-6-amino-2-{2-[(2S,3R)-2-amino-3-hydroxybutanamido]acetamido}hexanamido]-3-methylpentanamido]-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-3-(1H-imidazol-5-yl)propanamido]-5-carbamimidamidopentanamido]-3-methylpentanamido]-4-methylpentanamido]-3-carboxypropanamido]acetamido}-3-methylpentanamido]-3-carboxypropanamido]-3-sulfanylpropanamido]-3-hydroxybutanamido]-4-methylpentanamido]-3-methylpentanamido]butanedioic acid
IUPAC:(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S,3R)-2-[(2R)-2-[(2S)-2-[(2S,3S)-2-{2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2R)-2-[(2S,3S)-2-[(2S)-6-amino-2-{2-[(2S,3R)-2-amino-3-hydroxybutanamido]acetamido}hexanamido]-3-methylpentanamido]-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-3-(1H-imidazol-5-yl)propanamido]-5-carbamimidamidopentanamido]-3-methylpentanamido]-4-methylpentanamido]-3-carboxypropanamido]acetamido}-3-methylpentanamido]-3-carboxypropanamido]-3-sulfanylpropanamido]-3-hydroxybutanamido]-4-methylpentanamido]-3-methylpentanamido]butanedioic acid
InChI key:HCVVWXLHDTYZBS-YGKJVAPVSA-N

分子式:C97H163N29O32S2
分子量:2311.66
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(O)=O)C(O)=O
SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(O)=O)C(O)=O

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