Name: IEIK 13
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT217584723
Cas No:
常用名:IEIK 13
IUPAC:(4S)-4-{[(1S,2S)-1-{[(1S)-5-amino-1-{[(1S,2S)-1-{[(1S)-1-{[(1S,2S)-1-{[(1S)-5-amino-1-{[(1S,2S)-1-{[(1S)-1-{[(1S,2S)-1-{[(1S)-5-amino-1-{[(1S,2S)-1-carbamoyl-2-methylbutyl]carbamoyl}pentyl]carbamoyl}-2-methylbutyl]carbamoyl}-3-carboxypropyl]carbamoyl}-2-methylbutyl]carbamoyl}pentyl]carbamoyl}-2-methylbutyl]carbamoyl}-3-carboxypropyl]carbamoyl}-2-methylbutyl]carbamoyl}pentyl]carbamoyl}-2-methylbutyl]carbamoyl}-4-[(2S,3S)-2-acetamido-3-methylpentanamido]butanoic acid
IUPAC:(4S)-4-{[(1S,2S)-1-{[(1S)-5-amino-1-{[(1S,2S)-1-{[(1S)-1-{[(1S,2S)-1-{[(1S)-5-amino-1-{[(1S,2S)-1-{[(1S)-1-{[(1S,2S)-1-{[(1S)-5-amino-1-{[(1S,2S)-1-carbamoyl-2-methylbutyl]carbamoyl}pentyl]carbamoyl}-2-methylbutyl]carbamoyl}-3-carboxypropyl]carbamoyl}-2-methylbutyl]carbamoyl}pentyl]carbamoyl}-2-methylbutyl]carbamoyl}-3-carboxypropyl]carbamoyl}-2-methylbutyl]carbamoyl}pentyl]carbamoyl}-2-methylbutyl]carbamoyl}-4-[(2S,3S)-2-acetamido-3-methylpentanamido]butanoic acid
InChI key:OPHOHQNVQYMBAA-MDYFYIFESA-N

分子式:C77H139N17O20
分子量:1623.058
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(N)=O
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(N)=O

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