Name: ω-Conotoxin CVIA
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218851782
Cas No:325164-06-5
常用名:ω-Conotoxin CVIA
IUPAC:2-[(1R,4S,7S,13S,16R,21R,24S,27S,30S,33S,36S,39S,42R,45S,48S,54S,57S,60S,63R,68R,71S,77S)-63-amino-60-(4-aminobutyl)-4,13,36,39-tetrakis(3-carbamimidamidopropyl)-16-carbamoyl-33,54,71-tris[(1R)-1-hydroxyethyl]-7,30,45,57,77-pentakis(hydroxymethyl)-27-[(4-hydroxyphenyl)methyl]-48-methyl-2,5,8,11,14,23,26,29,32,35,38,41,44,47,50,53,56,59,62,69,72,75,78,85-tetracosaoxo-18,19,65,66,81,82-hexathia-3,6,9,12,15,22,25,28,31,34,37,40,43,46,49,52,55,58,61,70,73,76,79,84-tetracosaazatricyclo[40.37.4.2^{21,68}]pentaoctacontan-24-yl]acetic acid
IUPAC:2-[(1R,4S,7S,13S,16R,21R,24S,27S,30S,33S,36S,39S,42R,45S,48S,54S,57S,60S,63R,68R,71S,77S)-63-amino-60-(4-aminobutyl)-4,13,36,39-tetrakis(3-carbamimidamidopropyl)-16-carbamoyl-33,54,71-tris[(1R)-1-hydroxyethyl]-7,30,45,57,77-pentakis(hydroxymethyl)-27-[(4-hydroxyphenyl)methyl]-48-methyl-2,5,8,11,14,23,26,29,32,35,38,41,44,47,50,53,56,59,62,69,72,75,78,85-tetracosaoxo-18,19,65,66,81,82-hexathia-3,6,9,12,15,22,25,28,31,34,37,40,43,46,49,52,55,58,61,70,73,76,79,84-tetracosaazatricyclo[40.37.4.2^{21,68}]pentaoctacontan-24-yl]acetic acid
InChI key:GRJHIUVLSHHPIP-FNWANFIGSA-N

分子式:C97H161N39O36S6
分子量:2641.95
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CSSC[C@]3([H])NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@]([H])(NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC3=O)[C@@H](C)O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N2)[C@@H](C)O
SMILES:[H][C@]12CSSC[C@]3([H])NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@]([H])(NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC3=O)[C@@H](C)O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N2)[C@@H](C)O

ω-Conotoxin CVIA 为含27个氨基酸的神经肽毒素，作用为阻断电压敏感的钙通道（voltage sensitive calcium channels）。

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