Name: Cyanopeptolin 954
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT214317938
Cas No:866718-63-0
常用名:Cyanopeptolin 954
别名:Cyanopeptolin-954, Cyanopeptolin954
IUPAC:(2S)-N-[(2S,5S,11R,12S,15S,18S,21R)-2-benzyl-5-[(3-chloro-4-hydroxyphenyl)methyl]-21-hydroxy-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-(propan-2-yl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl]-2-acetamidopentanediamide
IUPAC:(2S)-N-[(2S,5S,11R,12S,15S,18S,21R)-2-benzyl-5-[(3-chloro-4-hydroxyphenyl)methyl]-21-hydroxy-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-(propan-2-yl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl]-2-acetamidopentanediamide
InChI key:JECPFNPTJNKMMN-OZMDPVOESA-N

分子式:C46H63ClN8O12
分子量:955.5
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CC[C@@H](O)N([C@@H](Cc3ccccc3)C(=O)N(C)[C@@H](Cc3ccc(O)c(Cl)c3)C(=O)NC(C(C)C)C(=O)O[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1)C2=O |@:33|
SMILES:[H][C@@]12CC[C@@H](O)N([C@@H](Cc3ccccc3)C(=O)N(C)[C@@H](Cc3ccc(O)c(Cl)c3)C(=O)NC(C(C)C)C(=O)O[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1)C2=O |@:33|

Cyanopeptolin 954 is a chlorine-containing Microcystis aeruginosa NIVA Cya 43 chymotrypsin Inhibitor.

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