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

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218851789
Cas No:216299-20-6
常用名:α-Conotoxin AuIA
IUPAC:2-[(1R,6R,9S,12S,15S,18S,21S,24S,27S,30R,33S,39S,45S,48S,53R)-53-(2-aminoacetamido)-27-benzyl-6-carbamoyl-18-(carbamoylmethyl)-21-[(1R)-1-hydroxyethyl]-15,48-bis(hydroxymethyl)-9,45-bis[(4-hydroxyphenyl)methyl]-24-methyl-8,11,14,17,20,23,26,29,32,38,44,47,50,52-tetradecaoxo-3,4,55,56-tetrathia-7,10,13,16,19,22,25,28,31,37,43,46,49,51-tetradecaazatetracyclo[28.20.7.0^{33,37}.0^{39,43}]heptapentacontan-12-yl]acetic acid
IUPAC:2-[(1R,6R,9S,12S,15S,18S,21S,24S,27S,30R,33S,39S,45S,48S,53R)-53-(2-aminoacetamido)-27-benzyl-6-carbamoyl-18-(carbamoylmethyl)-21-[(1R)-1-hydroxyethyl]-15,48-bis(hydroxymethyl)-9,45-bis[(4-hydroxyphenyl)methyl]-24-methyl-8,11,14,17,20,23,26,29,32,38,44,47,50,52-tetradecaoxo-3,4,55,56-tetrathia-7,10,13,16,19,22,25,28,31,37,43,46,49,51-tetradecaazatetracyclo[28.20.7.0^{33,37}.0^{39,43}]heptapentacontan-12-yl]acetic acid
InChI key:DFZSRPUJEBRFKM-JTWAEYBSSA-N

分子式:C72H96N18O24S4
分子量:1725.9
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@]([H])(NC(=O)[C@H](C)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N1)NC2=O)[C@@H](C)O)C(N)=O
SMILES:[H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@]([H])(NC(=O)[C@H](C)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N1)NC2=O)[C@@H](C)O)C(N)=O

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