Chemical Compound

2-[(1R,7S,10S,13S,16S,19R,24R,27S,33S,36S,43R)-7-(4-Aminobutyl)-43-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-10-(2-amino-2-oxoethyl)-13-benzyl-19-carbamoyl-27-(1H-imidazol-5-ylmethyl)-36-methyl-2,5,8,11,14,17,25,28,34,37,44-undecaoxo-21,22,40,41-tetrathia-3,6,9,12,15,18,26,29,35,38,45-undecazatricyclo[22.14.7.029,33]pentatetracontan-16-yl]acetic acid

CAS Registry Number 135190-31-7
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2-[(1R,7S,10S,13S,16S,19R,24R,27S,33S,36S,43R)-7-(4-Aminobutyl)-43-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-10-(2-amino-2-oxoethyl)-13-benzyl-19-carbamoyl-27-(1H-imidazol-5-ylmethyl)-36-methyl-2,5,8,11,14,17,25,28,34,37,44-undecaoxo-21,22,40,41-tetrathia-3,6,9,12,15,18,26,29,35,38,45-undecazatricyclo[22.14.7.029,33]pentatetracontan-16-yl]acetic acid 结构式
Primary record

2-[(1R,7S,10S,13S,16S,19R,24R,27S,33S,36S,43R)-7-(4-Aminobutyl)-43-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-10-(2-amino-2-oxoethyl)-13-benzyl-19-carbamoyl-27-(1H-imidazol-5-ylmethyl)-36-methyl-2,5,8,11,14,17,25,28,34,37,44-undecaoxo-21,22,40,41-tetrathia-3,6,9,12,15,18,26,29,35,38,45-undecazatricyclo[22.14.7.029,33]pentatetracontan-16-yl]acetic acid

库存
1,054 克
纯度
98.1 %
CAS
135190-31-7

化合物标识与属性

CAS
135190-31-7
PubChem CID
16131177
SMILES
C[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC2=O)CCCCN)CC(=O)N)CC3=CC=CC=C3)CC(=O)O)C(=O)N)C(=O)N[C@H](C(=O)N4CCC[C@H]4C(=O)N1)CC5=CN=CN5)NC(=O)[C@H](CC6=CC=C(C=C6)O)N
Canonical SMILES
C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CSSC[C@@H](C(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)N2)NC1=O

名称与同义词

  • alpha-Conotoxin sia
  • alpha-Conotoxin S IA
  • RefChem:111135
  • SCHEMBL31332276
  • DA-79162
  • 135190-31-7
  • 2-[(1R,7S,10S,13S,16S,19R,24R,27S,33S,36S,43R)-7-(4-Aminobutyl)-43-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-10-(2-amino-2-oxoethyl)-13-benzyl-19-carbamoyl-27-(1H-imidazol-5-ylmethyl)-36-methyl-2,5,8,11,14,17,25,28,34,37,44-undecaoxo-21,22,40,41-tetrathia-3,6,9,12,15,18,26,29,35,38,45-undecazatricyclo[22.14.7.029,33]pentatetracontan-16-yl]acetic acid
  • Conotoxin G I, 1-L-tyrosine-4-L-histidine-9-L-lysine-10-L-asparagine-11-L-phenylalanine-12-L-aspartic acid-
  • H-Tyr-Cys(1)-Cys(2)-His-Pro-Ala-Cys(1)-Gly-Lys-Asn-Phe-Asp-Cys(2)-NH2