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

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218852051
Cas No:147794-23-8
常用名:ω-Conotoxin MVIIC
别名:ω-芋螺毒素 MVIIC
IUPAC:2-[(1R,4S,7S,10S,13S,16S,19S,27R,30S,36S,39S,45R,48S,54S,57R,62R,65S,71S,77S,83S)-62-amino-7,30,65,71-tetrakis(4-aminobutyl)-4,36,39-tris(3-carbamimidamidopropyl)-27-carbamoyl-10-[(1R)-1-hydroxyethyl]-48,54-bis(hydroxymethyl)-16-[(4-hydroxyphenyl)methyl]-77-methyl-13-[2-(methylsulfanyl)ethyl]-2,5,8,11,14,17,20,29,32,35,38,41,44,47,50,53,56,63,66,69,72,75,78,84,91-pentacosaoxo-24,25,59,60,87,88-hexathia-3,6,9,12,15,18,21,28,31,34,37,40,43,46,49,52,55,64,67,70,73,76,79,85,90-pentacosaazatetracyclo[43.40.4.2^{22,57}.0^{79,83}]hennonacontan-19-yl]acetic acid
IUPAC:2-[(1R,4S,7S,10S,13S,16S,19S,27R,30S,36S,39S,45R,48S,54S,57R,62R,65S,71S,77S,83S)-62-amino-7,30,65,71-tetrakis(4-aminobutyl)-4,36,39-tris(3-carbamimidamidopropyl)-27-carbamoyl-10-[(1R)-1-hydroxyethyl]-48,54-bis(hydroxymethyl)-16-[(4-hydroxyphenyl)methyl]-77-methyl-13-[2-(methylsulfanyl)ethyl]-2,5,8,11,14,17,20,29,32,35,38,41,44,47,50,53,56,63,66,69,72,75,78,84,91-pentacosaoxo-24,25,59,60,87,88-hexathia-3,6,9,12,15,18,21,28,31,34,37,40,43,46,49,52,55,64,67,70,73,76,79,85,90-pentacosaazatetracyclo[43.40.4.2^{22,57}.0^{79,83}]hennonacontan-19-yl]acetic acid
InChI key:FHVUTHWUIUXZBY-GRIPDSFQSA-N

分子式:C106H178N40O32S7
分子量:2749.26
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CCCN1C(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@]1([H])NC(=O)C3([H])CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@]([H])(CSSC[C@]([H])(NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(O)=O)C(=O)N3)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC1=O)C(N)=O
SMILES:[H][C@@]12CCCN1C(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@]1([H])NC(=O)C3([H])CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@]([H])(CSSC[C@]([H])(NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(O)=O)C(=O)N3)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC1=O)C(N)=O

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