Name: α-Conotoxin GIC
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218851791
Cas No:757236-92-3
常用名:α-Conotoxin GIC
IUPAC:(1R,6R,9S,12S,15S,18S,21S,27S,30R,33S,36S,42S,45S,50R)-50-(2-aminoacetamido)-9-[(2S)-butan-2-yl]-15-(2-carbamoylethyl)-18,21-bis(carbamoylmethyl)-45-(hydroxymethyl)-12,42-bis[(1H-imidazol-5-yl)methyl]-27,33-dimethyl-8,11,14,17,20,23,26,29,32,35,41,44,47,49-tetradecaoxo-3,4,52,53-tetrathia-7,10,13,16,19,22,25,28,31,34,40,43,46,48-tetradecaazatricyclo[28.17.7.0^{36,40}]tetrapentacontane-6-carboxamide
IUPAC:(1R,6R,9S,12S,15S,18S,21S,27S,30R,33S,36S,42S,45S,50R)-50-(2-aminoacetamido)-9-[(2S)-butan-2-yl]-15-(2-carbamoylethyl)-18,21-bis(carbamoylmethyl)-45-(hydroxymethyl)-12,42-bis[(1H-imidazol-5-yl)methyl]-27,33-dimethyl-8,11,14,17,20,23,26,29,32,35,41,44,47,49-tetradecaoxo-3,4,52,53-tetrathia-7,10,13,16,19,22,25,28,31,34,40,43,46,48-tetradecaazatricyclo[28.17.7.0^{36,40}]tetrapentacontane-6-carboxamide
InChI key:MGCYWLIOYRXTDE-KLMBZYLCSA-N

分子式:C61H92N24O20S4
分子量:1609.8
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N1)NC(=O)[C@H](C)NC2=O)[C@@H](C)CC)C(N)=O
SMILES:[H][C@@]12CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N1)NC(=O)[C@H](C)NC2=O)[C@@H](C)CC)C(N)=O

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