Account (S)-4-((S)-2-((S)-2-((S)-1-(L-phenylalanyl-L-asparaginyl-L-prolyl-L-serylglycyl-L-prolyl-L-tyrosyl-L-glutaminyl-L-lysyl-L-lysyl)pyrrolidine-2-carboxamido)-3-methylbutanamido)-3-(1H-imidazol-5-yl)propanamido)-5-(((S)-6-amino-1-(((S)-6-amino-1-(((S)-4-carboxy-1-(((S)-1-(((S)-1-carboxy-3-methylbutyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)amino)-1-oxohexan-2-yl)amino)-1-oxohexan-2-yl)amino)-5-oxopentanoic acid
- Catalog No. :
- ACDFNN849
- CAS No. :
- 960358-79-6
- Molecular Formula :
- C103H161N27O28
- Molecular Weight :
- 2225.58
IUPAC Name:(S)-4-((S)-2-((S)-2-((S)-1-(L-phenylalanyl-L-asparaginyl-L-prolyl-L-serylglycyl-L-prolyl-L-tyrosyl-L-glutaminyl-L-lysyl-L-lysyl)pyrrolidine-2-carboxamido)-3-methylbutanamido)-3-(1H-imidazol-5-yl)propanamido)-5-(((S)-6-amino-1-(((S)-6-amino-1-(((S)-4-carboxy-1-(((S)-1-(((S)-1-carboxy-3-methylbutyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)amino)-1-oxohexan-2-yl)amino)-1-oxohexan-2-yl)amino)-5-oxopentanoic acid
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Product Information
| Product Name | (S)-4-((S)-2-((S)-2-((S)-1-(L-phenylalanyl-L-asparaginyl-L-prolyl-L-serylglycyl-L-prolyl-L-tyrosyl-L-glutaminyl-L-lysyl-L-lysyl)pyrrolidine-2-carboxamido)-3-methylbutanamido)-3-(1H-imidazol-5-yl)propanamido)-5-(((S)-6-amino-1-(((S)-6-amino-1-(((S)-4-carboxy-1-(((S)-1-(((S)-1-carboxy-3-methylbutyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)amino)-1-oxohexan-2-yl)amino)-1-oxohexan-2-yl)amino)-5-oxopentanoic acid |
|---|---|
| IUPAC Name | (S)-4-((S)-2-((S)-2-((S)-1-(L-phenylalanyl-L-asparaginyl-L-prolyl-L-serylglycyl-L-prolyl-L-tyrosyl-L-glutaminyl-L-lysyl-L-lysyl)pyrrolidine-2-carboxamido)-3-methylbutanamido)-3-(1H-imidazol-5-yl)propanamido)-5-(((S)-6-amino-1-(((S)-6-amino-1-(((S)-4-carboxy-1-(((S)-1-(((S)-1-carboxy-3-methylbutyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)amino)-1-oxohexan-2-yl)amino)-1-oxohexan-2-yl)amino)-5-oxopentanoic acid |
| Molecular Formula | C103H161N27O28 |
| Molecular Weight | 2225.58 |
| SMILES | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC1=CC=CC=C1)C(C)C)C(C)C)C(=O)O |
| InChI Key | RCGNESNJGHWAQI-ULYCEPSKSA-N |
| Synonym | L-Leucine, L-phenylalanyl-L-asparaginyl-L-prolyl-L-serylglycyl-L-prolyl-L-tyrosyl-L-glutaminyl-L-lysyl-L-lysyl-L-prolyl-L-valyl-L-histidyl-L-α-glutamyl-L-lysyl-L-lysyl-L-α-glutamyl-L-valyl-;CKLF1-C19 |
| CAS No. | 960358-79-6 |
Synthetic Route by SureRoute
2. ACDFNN849 Molecular Building Block Synthetic Route
1-de-L-cysteine-2-de-L-serine-3-de-L-asparagine-4-de-L-leucine-5-de-L-serine-6-de-L-threonine-7-de-L-cysteine-Calcitonin (salmon reduced)
Apidaecin IA
(S)-4-((S)-2-((S)-1-(L-seryl-L-alanylglycyl-L-phenylalanyl-L-aspartyl-L-phenylalanyl-L-seryl-L-phenylalanyl-L-leucyl-L-prolyl-L-glutaminyl-L-prolyl)pyrrolidine-2-carboxamido)-5-amino-5-oxopentanamido)-5-(((S)-6-amino-1-(((S)-1-(((S)-1-(((S)-3-carboxy-1-(((7S,10S,13S)-13-(((S)-1-(((S)-1-carboxyethyl)amino)-5-guanidino-1-oxopentan-2-yl)carbamoyl)-7-(3-guanidinopropyl)-10-(4-hydroxybenzyl)-14-(4-hydroxyphenyl)-2,5,8,11-tetraoxo-3,6,9,12-tetraazatetradecyl)amino)-1-oxopropan-2-yl)amino)-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl)amino)-1-oxopropan-2-yl)amino)-1-oxohexan-2-yl)amino)-5-oxopentanoic acid