Name: Conotoxin GII
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212718989
Cas No:76862-66-3
常用名:Conotoxin GII
别名:alpha-Conotoxin G II
IUPAC:(4S)-4-amino-4-{[(1R,7S,10S,13S,16S,19R,24R,27S,33S,36S,43R)-7-(4-aminobutyl)-13-benzyl-19-carbamoyl-16-(hydroxymethyl)-10,27-bis[(1H-imidazol-5-yl)methyl]-36-methyl-2,5,8,11,14,17,25,28,34,37,44-undecaoxo-21,22,40,41-tetrathia-3,6,9,12,15,18,26,29,35,38,45-undecaazatricyclo[22.14.7.0^{29,33}]pentatetracontan-43-yl]carbamoyl}butanoic acid
IUPAC:(4S)-4-amino-4-{[(1R,7S,10S,13S,16S,19R,24R,27S,33S,36S,43R)-7-(4-aminobutyl)-13-benzyl-19-carbamoyl-16-(hydroxymethyl)-10,27-bis[(1H-imidazol-5-yl)methyl]-36-methyl-2,5,8,11,14,17,25,28,34,37,44-undecaoxo-21,22,40,41-tetrathia-3,6,9,12,15,18,26,29,35,38,45-undecaazatricyclo[22.14.7.0^{29,33}]pentatetracontan-43-yl]carbamoyl}butanoic acid
InChI key:GBQKLTZKGNZVHO-PVGVDLJESA-N

分子式:C57H81N19O16S4
分子量:1416.63
氢键供体数 (HBD):18
氢键受体数 (HBA):20
LogP:-12.306333
SMILES:C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N2)NC1=O)C(N)=O
SMILES:C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N2)NC1=O)C(N)=O

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