Account (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
- Catalog No. :
- ACVJCL626
- CAS No. :
- 131374-17-9
- Molecular Formula :
- C53H68N14O12S
- Molecular Weight :
- 1125.28
IUPAC Name:(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
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Product Information
| Product Name | (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 |
|---|---|
| IUPAC Name | (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 |
| Molecular Formula | C53H68N14O12S |
| Molecular Weight | 1125.28 |
| SMILES | CSCC[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)NCC(=O)O |
| InChI Key | IPLBICXEVCRUAI-TZLMNZOISA-N |
| Synonym | H-TYR-MET-GLU-HIS-PHE-ARG-TRP-GLY-OH;TYR-MET-GLU-HIS-PHE-ARG-TRP-GLY;TYR-ACTH (4-10);TYR-ADRENOCORTICOTROPIC HORMONE (4-10);ACTH(4-9), Tyr;Glycine, N-[N-[N2-[N-[N-[N-(N-L-tyrosyl-L-methionyl)-L-α-glutamyl]-L-histidyl]-L-phenylalanyl]-L-arginyl]-L-tryptophyl]- (9CI);Glycine,N-[N-[N2-[N-[N-[N-(N-L-tyrosyl-L-methionyl)-L-α-glutamyl]-L-histidyl]-L-phenylalanyl]-L-arginyl]-L-tryptophyl;YMEHFRWG |
| CAS No. | 131374-17-9 |
Synthetic Route by SureRoute
2. ACVJCL626 Molecular Building Block Synthetic Route
((S)-2-((S)-2-((S)-2-((S)-2-((S)-2-amino-4-(methylthio)butanamido)-4-carboxybutanamido)-3-(1H-imidazol-5-yl)propanamido)-3-phenylpropanamido)-5-((diaminomethylene)amino)pentanoyl)-L-tryptophylglycyl-L-lysine
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
(5S,8S,11R,14S,17S)-14-((1H-imidazol-5-yl)methyl)-5-((1H-indol-3-yl)methyl)-17-((S)-2-acetamidohexanamido)-1-amino-11-benzyl-8-(3-((diaminomethylene)amino)propyl)-1,4,7,10,13,16-hexaoxo-3,6,9,12,15-pentaazaicosan-20-oic acid