Name: ω-Conotoxin SO3
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218851638
Cas No:441284-32-8
常用名:ω-Conotoxin SO3
IUPAC:(1R,4S,10S,16S,19S,22S,25R,30R,33S,39S,42R,45S,48S,54S,57R,65S,68S,71S,74S,77S,80S)-25-amino-10,22,54-tris(4-aminobutyl)-74-[(2S)-butan-2-yl]-45,77-bis(3-carbamimidamidopropyl)-65-(carbamoylmethyl)-33-[(1R)-1-hydroxyethyl]-39,48,80-tris(hydroxymethyl)-68-[(4-hydroxyphenyl)methyl]-16,19,71-trimethyl-3,9,12,15,18,21,24,31,34,37,40,43,46,49,52,55,64,67,70,73,76,79,82,87-tetracosaoxo-27,28,59,60,84,85-hexathia-2,8,11,14,17,20,23,32,35,38,41,44,47,50,53,56,63,66,69,72,75,78,81,88-tetracosaazatetracyclo[40.40.4.2^{30,62}.0^{4,8}]octaoctacontane-57-carboxamide
IUPAC:(1R,4S,10S,16S,19S,22S,25R,30R,33S,39S,42R,45S,48S,54S,57R,65S,68S,71S,74S,77S,80S)-25-amino-10,22,54-tris(4-aminobutyl)-74-[(2S)-butan-2-yl]-45,77-bis(3-carbamimidamidopropyl)-65-(carbamoylmethyl)-33-[(1R)-1-hydroxyethyl]-39,48,80-tris(hydroxymethyl)-68-[(4-hydroxyphenyl)methyl]-16,19,71-trimethyl-3,9,12,15,18,21,24,31,34,37,40,43,46,49,52,55,64,67,70,73,76,79,82,87-tetracosaoxo-27,28,59,60,84,85-hexathia-2,8,11,14,17,20,23,32,35,38,41,44,47,50,53,56,63,66,69,72,75,78,81,88-tetracosaazatetracyclo[40.40.4.2^{30,62}.0^{4,8}]octaoctacontane-57-carboxamide
InChI key:BYAKBFZIODGOGU-ZCQCVRMBSA-N

分子式:C100H166N36O31S6
分子量:2561.01
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=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](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]([H])(CSSC[C@]([H])(NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(N)=O)C(=O)N3)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@]([H])(NC1=O)[C@@H](C)O)C(N)=O
SMILES:[H][C@@]12CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=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](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]([H])(CSSC[C@]([H])(NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(N)=O)C(=O)N3)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@]([H])(NC1=O)[C@@H](C)O)C(N)=O

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