Account Aurein 3.3
- Catalog No. :
- ACNLTK951
- CAS No. :
- 302343-15-3
- Molecular Formula :
- C84H142N22O21
- Molecular Weight :
- 1796.19
IUPAC Name:(3S,6S,9S,12S,15S,18S,21S,27S,30S,33S,36S,39S,42S,43S)-27-((1H-imidazol-5-yl)methyl)-3-((S)-2-((S)-2-(2-aminoacetamido)-4-methylpentanamido)-3-phenylpropanamido)-12,15-bis(4-aminobutyl)-6,18,30-tri((S)-sec-butyl)-42-carbamoyl-36,39-bis(hydroxymethyl)-9,33-diisopropyl-21,43-dimethyl-4,7,10,13,16,19,22,25,28,31,34,37,40-tridecaoxo-5,8,11,14,17,20,23,26,29,32,35,38,41-tridecaazapentatetracontanoic acid
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Product Information
| Product Name | Aurein 3.3 |
|---|---|
| IUPAC Name | (3S,6S,9S,12S,15S,18S,21S,27S,30S,33S,36S,39S,42S,43S)-27-((1H-imidazol-5-yl)methyl)-3-((S)-2-((S)-2-(2-aminoacetamido)-4-methylpentanamido)-3-phenylpropanamido)-12,15-bis(4-aminobutyl)-6,18,30-tri((S)-sec-butyl)-42-carbamoyl-36,39-bis(hydroxymethyl)-9,33-diisopropyl-21,43-dimethyl-4,7,10,13,16,19,22,25,28,31,34,37,40-tridecaoxo-5,8,11,14,17,20,23,26,29,32,35,38,41-tridecaazapentatetracontanoic acid |
| Molecular Formula | C84H142N22O21 |
| Molecular Weight | 1796.19 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC1=CN=CN1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(C)C)NC(=O)CN)[C@@H](C)CC)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(C)C)C(N)=O |
| InChI Key | BLCSSLLQNKBMEL-FZGABBKISA-N |
| Synonym | Aurein-3.3 |
| CAS No. | 302343-15-3 |
Synthetic Route by SureRoute
2. ACNLTK951 Molecular Building Block Synthetic Route
L-valyl-L-histidyl-L-histidyl-L-glutaminyl-L-lysyl-L-leucyl-L-valyl-L-phenylalanyl-L-phenylalanyl-L-alanyl-L-glutamyl-L-aspartyl-L-valylglycyl-L-seryl-L-asparaginyl-L-lysine
AChRα(97-116)
((R)-2-((R)-2-(2-((R)-2-((2R,3R)-2-amino-3-methylpentanamido)-4-methylpentanamido)acetamido)-3-(1H-imidazol-5-yl)propanamido)-5-ureidopentanoyl)-D-aspartyl-D-tyrosyl-D-lysine