Account 3-((1H-imidazol-4-yl)methyl)-18-((1H-indol-3-yl)methyl)-1-(16-((1H-indol-3-yl)methyl)-31-amino-7-(4-aminobutyl)-39-benzyl-4-(2-carboxyethyl)-10-(carboxymethyl)-42-(4-hydroxybenzyl)-19,22,28-tris(hydroxymethyl)-13-isobutyl-45-isopropyl-3,6,9,12,15,18,21,24,27,30,38,41,44,47-tetradecaoxo-33,34,49,50-tetrathia-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tetradecaazabicyclo[23.22.4]henpentacontan-36-yl)-12,15-di-sec-butyl-9-(carboxymethyl)-6-isobutyl-1,4,7,10,13,16-hexaoxo-2,5,8,11,14,17-hexaazanonadecan-19-oic acid
- Catalog No. :
- ACYYOU622
- CAS No. :
- 123562-20-9
- Molecular Formula :
- C115H160N26O32S4
- Molecular Weight :
- 2546.96
IUPAC Name:3-((1H-imidazol-4-yl)methyl)-18-((1H-indol-3-yl)methyl)-1-(16-((1H-indol-3-yl)methyl)-31-amino-7-(4-aminobutyl)-39-benzyl-4-(2-carboxyethyl)-10-(carboxymethyl)-42-(4-hydroxybenzyl)-19,22,28-tris(hydroxymethyl)-13-isobutyl-45-isopropyl-3,6,9,12,15,18,21,24,27,30,38,41,44,47-tetradecaoxo-33,34,49,50-tetrathia-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tetradecaazabicyclo[23.22.4]henpentacontan-36-yl)-12,15-di-sec-butyl-9-(carboxymethyl)-6-isobutyl-1,4,7,10,13,16-hexaoxo-2,5,8,11,14,17-hexaazanonadecan-19-oic acid
![3-((1H-imidazol-4-yl)methyl)-18-((1H-indol-3-yl)methyl)-1-(16-((1H-indol-3-yl)methyl)-31-amino-7-(4-aminobutyl)-39-benzyl-4-(2-carboxyethyl)-10-(carboxymethyl)-42-(4-hydroxybenzyl)-19,22,28-tris(hydroxymethyl)-13-isobutyl-45-isopropyl-3,6,9,12,15,18,21,24,27,30,38,41,44,47-tetradecaoxo-33,34,49,50-tetrathia-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tetradecaazabicyclo[23.22.4]henpentacontan-36-yl)-12,15-di-sec-butyl-9-(carboxymethyl)-6-isobutyl-1,4,7,10,13,16-hexaoxo-2,5,8,11,14,17-hexaazanonadecan-19-oic acid structure diagram](/images/productimg/no-pic.svg)
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| Product Name | 3-((1H-imidazol-4-yl)methyl)-18-((1H-indol-3-yl)methyl)-1-(16-((1H-indol-3-yl)methyl)-31-amino-7-(4-aminobutyl)-39-benzyl-4-(2-carboxyethyl)-10-(carboxymethyl)-42-(4-hydroxybenzyl)-19,22,28-tris(hydroxymethyl)-13-isobutyl-45-isopropyl-3,6,9,12,15,18,21,24,27,30,38,41,44,47-tetradecaoxo-33,34,49,50-tetrathia-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tetradecaazabicyclo[23.22.4]henpentacontan-36-yl)-12,15-di-sec-butyl-9-(carboxymethyl)-6-isobutyl-1,4,7,10,13,16-hexaoxo-2,5,8,11,14,17-hexaazanonadecan-19-oic acid |
|---|---|
| IUPAC Name | 3-((1H-imidazol-4-yl)methyl)-18-((1H-indol-3-yl)methyl)-1-(16-((1H-indol-3-yl)methyl)-31-amino-7-(4-aminobutyl)-39-benzyl-4-(2-carboxyethyl)-10-(carboxymethyl)-42-(4-hydroxybenzyl)-19,22,28-tris(hydroxymethyl)-13-isobutyl-45-isopropyl-3,6,9,12,15,18,21,24,27,30,38,41,44,47-tetradecaoxo-33,34,49,50-tetrathia-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tetradecaazabicyclo[23.22.4]henpentacontan-36-yl)-12,15-di-sec-butyl-9-(carboxymethyl)-6-isobutyl-1,4,7,10,13,16-hexaoxo-2,5,8,11,14,17-hexaazanonadecan-19-oic acid |
| MDL No. | MFCD00133306 |
| Molecular Formula | C115H160N26O32S4 |
| Molecular Weight | 2546.96 |
| SMILES | CCC(C)C(NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC1=CNC=N1)NC(=O)C1CSSCC(N)C(=O)NC(CO)C(=O)NC2CSSCC(NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC3=CNC4=CC=CC=C34)NC(=O)C(CO)NC(=O)C(CO)NC2=O)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=C(O)C=C2)C(=O)NC(CC2=CC=CC=C2)C(=O)N1)C(=O)NC(C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)O)C(C)CC |
| InChI Key | MLFJHYIHIKEBTQ-UHFFFAOYSA-N |
| Synonym | ET-2 (HUMAN);ET-2 (HUMAN, PIG, DOG);H-CYS-SER-CYS-SER-SER-TRP-LEU-ASP-LYS-GLU-CYS-VAL-TYR-PHE-CYS-HIS-LEU-ASP-ILE-ILE-TRP-OH;H-CYS-SER-CYS-SER-SER-TRP-LEU-ASP-LYS-GLU-CYS-VAL-TYR-PHE-CYS-HIS-LEU-ASP-ILE-ILE-TRP-OH (DISULFIDE BRIDGE: 1-15 AND 3-11);ENDOTHELIN-II, HUMAN;ENDOTHELIN 2;ENDOTHELIN 2 HUMAN;ENDOTHELIN-2 (HUMAN, CANINE) |
| CAS No. | 123562-20-9 |
Synthetic Route by SureRoute
2. ACYYOU622 Molecular Building Block Synthetic Route
(3S,6S,9S,12S,15S,18S)-3-((1H-imidazol-5-yl)methyl)-18-((1H-indol-3-yl)methyl)-1-((1R,4S,7S,10S,13S,16S,19S,22S,25R,28S,31R,36R,39S,42S,45S)-31-amino-7-(4-aminobutyl)-39-benzyl-4-(2-carboxyethyl)-10-(carboxymethyl)-42-(4-hydroxybenzyl)-19,22,28-tris(hydroxymethyl)-16-isobutyl-45-isopropyl-13-(2-(methylthio)ethyl)-3,6,9,12,15,18,21,24,27,30,38,41,44,47-tetradecaoxo-33,34,49,50-tetrathia-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tetradecaazabicyclo[23.22.4]henpentacontan-36-yl)-12,15-di((S)-sec-butyl)-9-(carboxymethyl)-6-isobutyl-1,4,7,10,13,16-hexaoxo-2,5,8,11,14,17-hexaazanonadecan-19-oic acid--2,2,2-trifluoroacetic acid (1/1)
2-((4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-10,13-Bis((1H-imidazol-4-yl)methyl)-19-((1H-indol-3-yl)methyl)-4-(((2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl)carbamoyl)-34-((2S,3S)-2-amino-3-methylpentanamido)-25-(3-amino-3-oxopropyl)-7-(3-guanidinopropyl)-28,31-diisopropyl-6,9,12,15,18,21,24,27,30,33-decaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decaazacyclopentatriacontan-22-yl)acetic acid
32-((25-((1H-imidazol-4-yl)methyl)-7,28-bis((1H-indol-3-yl)methyl)-4-((1-amino-3-hydroxy-1-oxobutan-2-yl)carbamoyl)-22-(4-aminobutyl)-16-(2-carboxyethyl)-13-isobutyl-10-isopropyl-31-methyl-6,9,12,15,18,21,24,27,30,33-decaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decaazacyclopentatriacontan-34-yl)carbamoyl)-2,30-dioxo-6,9,12,15,18,21,24,27-octaoxa-3,31-diazatetratriacontan-34-oic acid