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

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218851790
Cas No:876728-23-3
常用名:α-Conotoxin RgIA
别名:α-RgIA
IUPAC:(2S)-2-{[(1R,4S,7S,13S,16S,19R,24R,27S,30S,33S,40R)-40-(2-aminoacetamido)-4,27,33-tris(3-carbamimidamidopropyl)-13-(carboxymethyl)-16-(hydroxymethyl)-30-[(4-hydroxyphenyl)methyl]-3,6,12,15,18,26,29,32,35,41-decaoxo-21,22,37,38-tetrathia-2,5,11,14,17,25,28,31,34,42-decaazatricyclo[17.16.7.0^{7,11}]dotetracontan-24-yl]formamido}-5-carbamimidamidopentanoic acid
IUPAC:(2S)-2-{[(1R,4S,7S,13S,16S,19R,24R,27S,30S,33S,40R)-40-(2-aminoacetamido)-4,27,33-tris(3-carbamimidamidopropyl)-13-(carboxymethyl)-16-(hydroxymethyl)-30-[(4-hydroxyphenyl)methyl]-3,6,12,15,18,26,29,32,35,41-decaoxo-21,22,37,38-tetrathia-2,5,11,14,17,25,28,31,34,42-decaazatricyclo[17.16.7.0^{7,11}]dotetracontan-24-yl]formamido}-5-carbamimidamidopentanoic acid
InChI key:XLQOVPAFVSHLGV-VFWMWCIBSA-N

分子式:C59H95N25O18S4
分子量:1570.81
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N1)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
SMILES:[H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N1)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O

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