Account (2S,5S,8S,11S,14S,17R)-2-((1H-Indol-3-yl)methyl)-5,8-di((S)-sec-butyl)-11-(carboxymethyl)-17-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl)-14-isobutyl-4,7,10,13,16,19-hexaoxo-3,6,9,12,15,18-hexaazaicosanoic acid
- Catalog No. :
- ACJEAX169
- CAS No. :
- 153049-49-1
- Molecular Formula :
- C52H67N7O10
- Molecular Weight :
- 950.15
IUPAC Name:(2S,5S,8S,11S,14S,17R)-2-((1H-indol-3-yl)methyl)-5,8-di((S)-sec-butyl)-11-(carboxymethyl)-17-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl)-14-isobutyl-4,7,10,13,16,19-hexaoxo-3,6,9,12,15,18-hexaazaicosanoic acid
![(2S,5S,8S,11S,14S,17R)-2-((1H-Indol-3-yl)methyl)-5,8-di((S)-sec-butyl)-11-(carboxymethyl)-17-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl)-14-isobutyl-4,7,10,13,16,19-hexaoxo-3,6,9,12,15,18-hexaazaicosanoic acid structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (2S,5S,8S,11S,14S,17R)-2-((1H-Indol-3-yl)methyl)-5,8-di((S)-sec-butyl)-11-(carboxymethyl)-17-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl)-14-isobutyl-4,7,10,13,16,19-hexaoxo-3,6,9,12,15,18-hexaazaicosanoic acid |
|---|---|
| IUPAC Name | (2S,5S,8S,11S,14S,17R)-2-((1H-indol-3-yl)methyl)-5,8-di((S)-sec-butyl)-11-(carboxymethyl)-17-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl)-14-isobutyl-4,7,10,13,16,19-hexaoxo-3,6,9,12,15,18-hexaazaicosanoic acid |
| Molecular Formula | C52H67N7O10 |
| Molecular Weight | 950.15 |
| SMILES | CC(N[C@H](C1C2=CC=CC=C2CCC3=CC=CC=C13)C(N[C@@H](CC(C)C)C(N[C@@H](CC(O)=O)C(N[C@@H]([C@@H](C)CC)C(N[C@@H]([C@@H](C)CC)C(N[C@@H](CC4=CNC5=C4C=CC=C5)C(O)=O)=O)=O)=O)=O)=O)=O |
| InChI Key | HRAQSWKGRRUBDJ-OMUAVVNCSA-N |
| Synonym | [AC-DBHG16] ENDOTHELIN-1 (16-21);AC-DBHG-LEU-ASP-ILE-ILE-TRP;AC-D-BHG-LEU-ASP-ILE-ILE-TRP-OH;PD 145065;endothelin receptor antagonist*pd 145065;Ac-bhg-Leu-Asp-Ile-Ile-Trp;N-Acetyl-α-[10,11-Dihydro-5H-dibenzo[a,d]cycloheptadien-5-yl]-D-Gly-Leu-Asp-Ile-Ile-Trp;L-Tryptophan, N-[N-[N-[N-[N-[N-acetyl-D-2-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)glycyl]-L-leucyl]-L-α-aspartyl]-L-isoleucyl]-L-isoleucyl]- (9CI) |
| CAS No. | 153049-49-1 |
Synthetic Route by SureRoute
2. ACJEAX169 Molecular Building Block Synthetic Route
PD 142893
(S)-2,6-Diamino-N-((5S,8S,11S,14S,17S,20S,23S,26S)-11,20,23-tris((1H-indol-3-yl)methyl)-1,30-diamino-14,17-bis(4-aminobutyl)-8-benzhydryl-5-carbamoyl-7,10,13,16,19,22,25-heptaoxo-6,9,12,15,18,21,24-heptaazatriacontan-26-yl)hexanamide
(6S,9S,12S,15S,18S,21S)-15-((1H-indol-3-yl)methyl)-21-((S)-2-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrrolidine-1-carbonyl)-1-((S)-1-(((2S,5S,8S,11S,14S,17S,20S,26S)-26-amino-2,14-bis(3-amino-3-oxopropyl)-20-((S)-sec-butyl)-11-(2-carboxyethyl)-8-(carboxymethyl)-5,17-diisopropyl-4,7,10,13,16,19,22,25-octaoxo-3,6,9,12,15,18,21,24-octaazaheptacosanoyl)-L-prolyl)pyrrolidin-2-yl)-9-(4-aminobutyl)-18-(hydroxymethyl)-6-isobutyl-12-isopropyl-1,4,7,10,13,16,19-heptaoxo-2,5,8,11,14,17,20-heptaazatricosan-23-oic acid