Account 14-((1H-imidazol-4-yl)methyl)-5-((1H-indol-3-yl)methyl)-17-(2-(2-(2-(2-amino-3-hydroxypropanamido)-3-(4-hydroxyphenyl)propanamido)-3-hydroxypropanamido)-4-(methylthio)butanamido)-11-benzyl-8-(3-guanidinopropyl)-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazaicosanedioic acid
- Catalog No. :
- ACSJCP406
- CAS No. :
- 2791-05-1
- Molecular Formula :
- C59H78N16O16S
- Molecular Weight :
- 1299.44
IUPAC Name:14-((1H-imidazol-4-yl)methyl)-5-((1H-indol-3-yl)methyl)-17-(2-(2-(2-(2-amino-3-hydroxypropanamido)-3-(4-hydroxyphenyl)propanamido)-3-hydroxypropanamido)-4-(methylthio)butanamido)-11-benzyl-8-(3-guanidinopropyl)-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazaicosanedioic acid
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Product Information
| Product Name | 14-((1H-imidazol-4-yl)methyl)-5-((1H-indol-3-yl)methyl)-17-(2-(2-(2-(2-amino-3-hydroxypropanamido)-3-(4-hydroxyphenyl)propanamido)-3-hydroxypropanamido)-4-(methylthio)butanamido)-11-benzyl-8-(3-guanidinopropyl)-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazaicosanedioic acid |
|---|---|
| IUPAC Name | 14-((1H-imidazol-4-yl)methyl)-5-((1H-indol-3-yl)methyl)-17-(2-(2-(2-(2-amino-3-hydroxypropanamido)-3-(4-hydroxyphenyl)propanamido)-3-hydroxypropanamido)-4-(methylthio)butanamido)-11-benzyl-8-(3-guanidinopropyl)-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazaicosanedioic acid |
| Molecular Formula | C59H78N16O16S |
| Molecular Weight | 1299.44 |
| SMILES | CSCCC(NC(=O)C(CO)NC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(N)CO)C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CNC=N1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NCC(=O)O |
| InChI Key | DIBOMWBTHPDGOJ-UHFFFAOYSA-N |
| Synonym | SER-TYR-SER-MET-GLU-HIS-PHE-ARG-TRP-GLY-LYS-PRO-VAL-GLY;SER-TYR-SER-MET-GLU-HIS-PHE-ARG-TRP-GLY;SYSMEHFRWG;SYSMEHFRWGKPVG;ADRENOCORTICOTROPIC HORMONE HUMAN FRAGMENT 1-10;ADRENOCORTICOTROPIC HORMONE HUMAN FRAGMENT 1-14;ADRENOCORTICOTROPIC HORMONE (1-10);ADRENOCORTICOTROPIC HORMONE (1-10), HUMAN |
| CAS No. | 2791-05-1 |
Synthetic Route by SureRoute
2. ACSJCP406 Molecular Building Block Synthetic Route
(4S,7S,10S,13S,16S,22S)-7-((1H-imidazol-4-yl)methyl)-16-((1H-indol-3-yl)methyl)-26-amino-22-((S)-2-(((S)-1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl)pyrrolidine-1-carbonyl)-10-benzyl-13-(3-guanidinopropyl)-4-((2S,5S,8S,11S)-8-(4-hydroxybenzyl)-5,11-bis(hydroxymethyl)-2-(2-(methylthio)ethyl)-4,7,10,13-tetraoxo-3,6,9,12-tetraazatetradecanamido)-5,8,11,14,17,20-hexaoxo-6,9,12,15,18,21-hexaazahexacosanoic acid
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(5S,8S,11S,14S,17S)-14-((1H-imidazol-5-yl)methyl)-5-((1H-indol-3-yl)methyl)-17-((S)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-4-(methylthio)butanamido)-11-benzyl-8-(3-((diaminomethylene)amino)propyl)-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazaicosanedioic acid