Name: Micropeptin 478A
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317764
Cas No:186368-49-0
常用名:Micropeptin 478A
别名:Micropeptin 478-A, Micropeptin 478 A
IUPAC:[(2S)-2-{[(2S,5S,8S,11R,12S,15S,18S,21R)-2,8-bis[(2S)-butan-2-yl]-15-(3-carbamimidamidopropyl)-5-[(3-chloro-4-hydroxyphenyl)methyl]-21-hydroxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl]carbamoyl}-2-hydroxyethoxy]sulfonic acid
IUPAC:[(2S)-2-{[(2S,5S,8S,11R,12S,15S,18S,21R)-2,8-bis[(2S)-butan-2-yl]-15-(3-carbamimidamidopropyl)-5-[(3-chloro-4-hydroxyphenyl)methyl]-21-hydroxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl]carbamoyl}-2-hydroxyethoxy]sulfonic acid
InChI key:XQAUOXBHKXOGBQ-AAVMTOFVSA-N

分子式:C40H62ClN9O15S
分子量:976.49
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CC[C@@H](O)N(C1=O)[C@@]([H])([C@@H](C)CC)C(=O)N(C)[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)O[C@H](C)[C@H](NC(=O)[C@@H](O)COS(O)(=O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2
SMILES:[H][C@]12CC[C@@H](O)N(C1=O)[C@@]([H])([C@@H](C)CC)C(=O)N(C)[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)O[C@H](C)[C@H](NC(=O)[C@@H](O)COS(O)(=O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2

Micropeptin 478A is a plasmin inhibitor from the Cyanobacterium Microcystis aeruginosa.

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