Account (2S,5S,8S,11S,14S)-14-((5S,8S,11S,14S,20S,23S,29S,32S,35S,38S,41S,44S,50S)-35-((1H-imidazol-5-yl)methyl)-53-amino-14,23,44-tris(4-aminobutyl)-8,20,41-tribenzyl-50-((S)-sec-butyl)-32-(hydroxymethyl)-38-isobutyl-5-isopropyl-11,29-dimethyl-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52-heptadecaoxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-heptadecaazatripentacontanamido)-5-(4-aminobutyl)-11-((S)-sec-butyl)-2-(hydroxymethyl)-8-(2-(methylthio)ethyl)-4,7,10,13-tetraoxo-3,6,9,12-tetraazaheptadecanedioic acid
- Catalog No. :
- ACTUMS616
- CAS No. :
- 108433-99-4
- Molecular Formula :
- C112H177N29O28S
- Molecular Weight :
- 2409.89
IUPAC Name:(2S,5S,8S,11S,14S)-14-((5S,8S,11S,14S,20S,23S,29S,32S,35S,38S,41S,44S,50S)-35-((1H-imidazol-5-yl)methyl)-53-amino-14,23,44-tris(4-aminobutyl)-8,20,41-tribenzyl-50-((S)-sec-butyl)-32-(hydroxymethyl)-38-isobutyl-5-isopropyl-11,29-dimethyl-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52-heptadecaoxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-heptadecaazatripentacontanamido)-5-(4-aminobutyl)-11-((S)-sec-butyl)-2-(hydroxymethyl)-8-(2-(methylthio)ethyl)-4,7,10,13-tetraoxo-3,6,9,12-tetraazaheptadecanedioic acid
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Product Information
| Product Name | (2S,5S,8S,11S,14S)-14-((5S,8S,11S,14S,20S,23S,29S,32S,35S,38S,41S,44S,50S)-35-((1H-imidazol-5-yl)methyl)-53-amino-14,23,44-tris(4-aminobutyl)-8,20,41-tribenzyl-50-((S)-sec-butyl)-32-(hydroxymethyl)-38-isobutyl-5-isopropyl-11,29-dimethyl-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52-heptadecaoxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-heptadecaazatripentacontanamido)-5-(4-aminobutyl)-11-((S)-sec-butyl)-2-(hydroxymethyl)-8-(2-(methylthio)ethyl)-4,7,10,13-tetraoxo-3,6,9,12-tetraazaheptadecanedioic acid |
|---|---|
| IUPAC Name | (2S,5S,8S,11S,14S)-14-((5S,8S,11S,14S,20S,23S,29S,32S,35S,38S,41S,44S,50S)-35-((1H-imidazol-5-yl)methyl)-53-amino-14,23,44-tris(4-aminobutyl)-8,20,41-tribenzyl-50-((S)-sec-butyl)-32-(hydroxymethyl)-38-isobutyl-5-isopropyl-11,29-dimethyl-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52-heptadecaoxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-heptadecaazatripentacontanamido)-5-(4-aminobutyl)-11-((S)-sec-butyl)-2-(hydroxymethyl)-8-(2-(methylthio)ethyl)-4,7,10,13-tetraoxo-3,6,9,12-tetraazaheptadecanedioic acid |
| MDL No. | MFCD00133521 |
| Molecular Formula | C112H177N29O28S |
| Molecular Weight | 2409.89 |
| SMILES | CC[C@H](C)[C@H](NC(=O)CN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)CC)C(C)C |
| InChI Key | OFIZOVDANLLTQD-ZVNXOKPXSA-N |
| Synonym | Magainin 1 (Xenopus petersii);Magainin I peptide;Magainina 1;Magainin 1 peptide, Xenopus;MAGAININ 1;MAGAININ I;GLY-ILE-GLY-LYS-PHE-LEU-HIS-SER-ALA-GLY-LYS-PHE-GLY-LYS-ALA-PHE-VAL-GLY-GLU-ILE-MET-LYS-SER;GIGKFLHSAGKFGKAFVGEIMKS |
| CAS No. | 108433-99-4 |
Synthetic Route by SureRoute
2. ACTUMS616 Molecular Building Block Synthetic Route
(2S,5S,8S,11S,14S)-14-((5S,8S,11S,14S,20S,23S,26S,29S,32S,35S,38S,41S,44S,50S)-35-((1H-imidazol-5-yl)methyl)-53-amino-14,23,26,44-tetrakis(4-aminobutyl)-8,20,41-tribenzyl-50-((S)-sec-butyl)-32-(hydroxymethyl)-38-isobutyl-5-isopropyl-11,29-dimethyl-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52-heptadecaoxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-heptadecaazatripentacontanamido)-5-(2-amino-2-oxoethyl)-11-((S)-sec-butyl)-2-(hydroxymethyl)-8-(2-(methylthio)ethyl)-4,7,10,13-tetraoxo-3,6,9,12-tetraazaheptadecanedioic acid
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Aurein 3.3