Account (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
- Catalog No. :
- ACDJOS318
- CAS No. :
- 82188-67-8
- Molecular Formula :
- C47H64N14O10
- Molecular Weight :
- 985.12
IUPAC Name:(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
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Product Information
| Product Name | (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 |
|---|---|
| IUPAC Name | (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 |
| Molecular Formula | C47H64N14O10 |
| Molecular Weight | 985.12 |
| SMILES | CCCC[C@H](NC(C)=O)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(N)=O |
| InChI Key | ZHFBHJALAOQGNU-ZPRVLUMXSA-N |
| Synonym | Glycinamide, N-acetyl-L-norleucyl-L-α-glutamyl-L-histidyl-D-phenylalanyl-L-arginyl-L-tryptophyl-;Ac-[Nle4,D-Phe7]-α-MSH (4-10)-NH2 |
| CAS No. | 82188-67-8 |
Synthetic Route by SureRoute
2. ACDJOS318 Molecular Building Block Synthetic Route
(S)-N-((6S,9R,12S,15S)-12-((1H-imidazol-5-yl)methyl)-1,1-diamino-6-(((S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamoyl)-9-benzyl-8,11,14-trioxo-2,7,10,13-tetraazahexadec-1-en-15-yl)-2-acetamidohexanamide
((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
HP 228