Name: Hirudin (55-65) (sulfated)
Rating: 5 (10 reviews)

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类似物检索

HIT ID:HIT218848170
Cas No:109528-50-9
常用名:Hirudin (55-65) (sulfated)
别名:水蛭素 (55-65) (sulfated)
IUPAC:(4S)-4-{[(2S)-1-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-phenylpropanamido]-4-carboxybutanamido]-4-carboxybutanamido]-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-3-carbamoyl-1-carboxypropyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-[4-(sulfooxy)phenyl]ethyl]carbamoyl}-3-carboxypropyl]carbamoyl}butanoic acid
IUPAC:(4S)-4-{[(2S)-1-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-phenylpropanamido]-4-carboxybutanamido]-4-carboxybutanamido]-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-3-carbamoyl-1-carboxypropyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-[4-(sulfooxy)phenyl]ethyl]carbamoyl}-3-carboxypropyl]carbamoyl}butanoic acid
InChI key:DRTFLFZDIZEZKV-JXKVUTFHSA-N

分子式:C64H90N12O27S
分子量:1491.54
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(OS(O)(=O)=O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(O)=O
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(OS(O)(=O)=O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(O)=O

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