Name: Keap1-Nrf2-IN-16
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT218851689
Cas No:1362661-40-2
常用名:Keap1-Nrf2-IN-16
IUPAC:(4S)-4-{2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-4-carbamoylbutanamido]-4-methylpentanamido]-3-carboxypropanamido]-4-carboxybutanamido]-4-carboxybutanamido]-3-hydroxybutanamido]acetamido}-4-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S,2S)-1-{[(1S)-3-carbamoyl-1-carboxypropyl]carbamoyl}-2-methylbutyl]carbamoyl}pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid
IUPAC:(4S)-4-{2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-4-carbamoylbutanamido]-4-methylpentanamido]-3-carboxypropanamido]-4-carboxybutanamido]-4-carboxybutanamido]-3-hydroxybutanamido]acetamido}-4-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S,2S)-1-{[(1S)-3-carbamoyl-1-carboxypropyl]carbamoyl}-2-methylbutyl]carbamoyl}pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid
InChI key:CHFWRHMYWKNWOD-AQDAXDPNSA-N

分子式:C73H114N16O26
分子量:1631.801
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(O)=O

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