Chemical Compound

N-[(1R,4S,7S,10S,13S,16S,19S,22S,25R,28S,31R,36R,39S,42S,45S)-31-Amino-7,13-bis(4-aminobutyl)-22-benzyl-4-(2-carboxyethyl)-10-(carboxymethyl)-19-[(1R)-1-hydroxyethyl]-28-[(1S)-1-hydroxyethyl]-16,39,42-tris[(4-hydroxyphenyl)methyl]-3,6,9,12,15,18,21,24,27,30,38,41,44,47-tetradecaoxo-45-(propan-2-yl)-33,34,49,50-tetrathia-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tetradecaazabicyclo[23.22.4]henpentacontane-36-carbonyl]-L-histidyl-L-leucyl-L-alpha-aspartyl-L-isoleucyl-L-isoleucyl-L-tryptophan

CAS Registry Number 117399-93-6
N-[(1R,4S,7S,10S,13S,16S,19S,22S,25R,28S,31R,36R,39S,42S,45S)-31-Amino-7,13-bis(4-aminobutyl)-22-benzyl-4-(2-carboxyethyl)-10-(carboxymethyl)-19-[(1R)-1-hydroxyethyl]-28-[(1S)-1-hydroxyethyl]-16,39,42-tris[(4-hydroxyphenyl)methyl]-3,6,9,12,15,18,21,24,27,30,38,41,44,47-tetradecaoxo-45-(propan-2-yl)-33,34,49,50-tetrathia-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tetradecaazabicyclo[23.22.4]henpentacontane-36-carbonyl]-L-histidyl-L-leucyl-L-alpha-aspartyl-L-isoleucyl-L-isoleucyl-L-tryptophan 结构式
Primary record

N-[(1R,4S,7S,10S,13S,16S,19S,22S,25R,28S,31R,36R,39S,42S,45S)-31-Amino-7,13-bis(4-aminobutyl)-22-benzyl-4-(2-carboxyethyl)-10-(carboxymethyl)-19-[(1R)-1-hydroxyethyl]-28-[(1S)-1-hydroxyethyl]-16,39,42-tris[(4-hydroxyphenyl)methyl]-3,6,9,12,15,18,21,24,27,30,38,41,44,47-tetradecaoxo-45-(propan-2-yl)-33,34,49,50-tetrathia-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tetradecaazabicyclo[23.22.4]henpentacontane-36-carbonyl]-L-histidyl-L-leucyl-L-alpha-aspartyl-L-isoleucyl-L-isoleucyl-L-tryptophan

库存
647 克
纯度
98.8 %
CAS
117399-93-6

化合物标识与属性

CAS
117399-93-6
PubChem CID
16219334
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@@H]4CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H]5CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4)CC6=CC=C(C=C6)O)CC7=CC=C(C=C7)O)C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC5=O)CC8=CC=CC=C8)C(C)O)CC9=CC=C(C=C9)O)CCCCN)CC(=O)O)CCCCN)CCC(=O)O)C(C)O)N
Canonical SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](C(C)O)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](C(C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)CC

名称与同义词

  • Endothelin 3
  • Endothelin-3
  • Endothelin III
  • Endothelin-3, Big
  • Endothelin-3, human
  • Endothelin 3 human, rat
  • RefChem:920945
  • D05KPH
  • ET-3
  • H-CTCFTYKDKECVYYCHLDIIW-OH
  • DTXSID30585153
  • DTXSID501054504
  • 117399-93-6 net
  • 117399-93-6(free acid basis)
  • FE110256
  • FE110371
  • 5-Bromo-2-fluoro-3-pyridinecarbonyl chloride
  • Endothelin 3 human, rat, >=97.0% (HPLC)
  • Endothelin-3 (human, mouse, rabbit, rat) acetate
  • Endothelin 3 human, rat, >=97% (HPLC), powder
  • 117399-93-6
  • 125692-40-2
  • Endothelin-3 (human, mouse, rabbit, rat) acetate salt
  • Endothelin-3 (human, mouse, rabbit, rat) trifluoroacetate salt
  • H-CYS-THR-CYS-PHE-THR-TYR-LYS-ASP-LYS-GLU-CYS-VAL-TYR-TYR-CYS-HIS-LEU-ASP-ILE-ILE-TRP-OH
  • H-Cys-Thr-Cys-Phe-Thr-Tyr-Lys-Asp-Lys-Glu-Cys-Val-Tyr-Tyr-Cys-His-Leu -Asp-Ile-Ile-Trp-OH
  • H-Cys-Thr-Cys-Phe-Thr-Tyr-Lys-Asp-Lys-Glu-Cys-Val-Tyr-Tyr-Cys-His-Leu-Asp-Ile- Ile-Trp-OH
  • N-[(1R,4S,7S,10S,13S,16S,19S,22S,25R,28S,31R,36R,39S,42S,45S)-31-Amino-7,13-bis(4-aminobutyl)-22-benzyl-4-(2-carboxyethyl)-10-(carboxymethyl)-19-[(1R)-1-hydroxyethyl]-28-[(1S)-1-hydroxyethyl]-16,39,42-tris[(4-hydroxyphenyl)methyl]-3,6,9,12,15,18,21,24,27,30,38,41,44,47-tetradecaoxo-45-(propan-2-yl)-33,34,49,50-tetrathia-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tetradecaazabicyclo[23.22.4]henpentacontane-36-carbonyl]-L-histidyl-L-leucyl-L-alpha-aspartyl-L-isoleucyl-L-isoleucyl-L-tryptophan