Chemical Compound

(2S)-2-[[(1R,4S,7S,13S,16R,21R,24R,27R,30S,33R,38R)-21-amino-13-(2-amino-2-oxo-ethyl)-27-(2-carboxyethyl)-44-[(1R)-1-hydroxyethyl]-30-[(4-hydroxyphenyl)methyl]-4-methyl-3,6,12,15,22,25,28,31,40,43,46,51-dodecaoxo-18,19,35,36,48,49-hexathia-2,5,11,14,23,26,29,32,39,42,45,52-dodecazatetracyclo[22.22.4.216,33.07,11]dopentacontane-38-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid

CAS Registry Number 851199-59-2
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(2S)-2-[[(1R,4S,7S,13S,16R,21R,24R,27R,30S,33R,38R)-21-amino-13-(2-amino-2-oxo-ethyl)-27-(2-carboxyethyl)-44-[(1R)-1-hydroxyethyl]-30-[(4-hydroxyphenyl)methyl]-4-methyl-3,6,12,15,22,25,28,31,40,43,46,51-dodecaoxo-18,19,35,36,48,49-hexathia-2,5,11,14,23,26,29,32,39,42,45,52-dodecazatetracyclo[22.22.4.216,33.07,11]dopentacontane-38-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid 结构式
Primary record

(2S)-2-[[(1R,4S,7S,13S,16R,21R,24R,27R,30S,33R,38R)-21-amino-13-(2-amino-2-oxo-ethyl)-27-(2-carboxyethyl)-44-[(1R)-1-hydroxyethyl]-30-[(4-hydroxyphenyl)methyl]-4-methyl-3,6,12,15,22,25,28,31,40,43,46,51-dodecaoxo-18,19,35,36,48,49-hexathia-2,5,11,14,23,26,29,32,39,42,45,52-dodecazatetracyclo[22.22.4.216,33.07,11]dopentacontane-38-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid

库存
6,778 克
纯度
98.1 %
CAS
851199-59-2

化合物标识与属性

CAS
851199-59-2
PubChem CID
137699188
SMILES
C[C@H]1C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)CNC(=O)C(NC2=O)[C@@H](C)O)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)O)C(=O)N[C@@H](CSSC[C@@H](C(=O)N3)N)C(=O)N[C@H](C(=O)N5CCC[C@H]5C(=O)N1)CC(=O)N)CC6=CC=C(C=C6)O)CCC(=O)O
Canonical SMILES
C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](N)C(=O)N[C@H]3CSSC[C@H](NC1=O)C(=O)NC([C@@H](C)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)CSSC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCC(=O)O)NC3=O)C(=O)N2

名称与同义词

  • Linaclotide
  • orb1309479
  • C59H79N15O21S6
  • MFCD20526656
  • 851199-59-2
  • AKOS040733601
  • AC-26834
  • AS-76052
  • H-Cys(1)-Cys(2)-D-Glu-Tyr-Cys(3)-Cys(1)-Asn-Pro-Ala-Cys(2)-DL-Thr-Gly-Cys(3)-Tyr-OH
  • (2S)-2-[[(1R,4S,7S,13S,16R,21R,24R,27R,30S,33R,38R)-21-amino-13-(2-amino-2-oxo-ethyl)-27-(2-carboxyethyl)-44-[(1R)-1-hydroxyethyl]-30-[(4-hydroxyphenyl)methyl]-4-methyl-3,6,12,15,22,25,28,31,40,43,46,51-dodecaoxo-18,19,35,36,48,49-hexathia-2,5,11,14,23,26,29,32,39,42,45,52-dodecazatetracyclo[22.22.4.216,33.07,11]dopentacontane-38-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
  • (2S)-2-[[(1R,4S,7S,13S,16R,21R,24R,27R,30S,33R,38R)-21-amino-13-(2-amino-2-oxoethyl)-27-(2-carboxyethyl)-44-[(1R)-1-hydroxyethyl]-30-[(4-hydroxyphenyl)methyl]-4-methyl-3,6,12,15,22,25,28,31,40,43,46,51-dodecaoxo-18,19,35,36,48,49-hexathia-2,5,11,14,23,26,29,32,39,42,45,52-dodecazatetracyclo[22.22.4.216,33.07,11]dopentacontane-38-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid