Account 2,2'-((3S,6R,11R,14S,20S,23S,31aS)-11-amino-23-(4-aminobutyl)-6-carboxy-14-(3-((diaminomethylene)amino)propyl)-1,4,12,15,18,21,24,27-octaoxooctacosahydro-1H-pyrrolo[2,1-j][1,2]dithia[5,8,11,14,17,20,23,26]octaazacyclononacosine-3,20-diyl)diacetic acid
- Catalog No. :
- ACZYCV213
- CAS No. :
- 1392278-76-0
- Molecular Formula :
- C35H57N13O14S2
- Molecular Weight :
- 948.05
IUPAC Name:2,2'-((3S,6R,11R,14S,20S,23S,31aS)-11-amino-23-(4-aminobutyl)-6-carboxy-14-(3-((diaminomethylene)amino)propyl)-1,4,12,15,18,21,24,27-octaoxooctacosahydro-1H-pyrrolo[2,1-j][1,2]dithia[5,8,11,14,17,20,23,26]octaazacyclononacosine-3,20-diyl)diacetic acid
![2,2'-((3S,6R,11R,14S,20S,23S,31aS)-11-amino-23-(4-aminobutyl)-6-carboxy-14-(3-((diaminomethylene)amino)propyl)-1,4,12,15,18,21,24,27-octaoxooctacosahydro-1H-pyrrolo[2,1-j][1,2]dithia[5,8,11,14,17,20,23,26]octaazacyclononacosine-3,20-diyl)diacetic acid structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 2,2'-((3S,6R,11R,14S,20S,23S,31aS)-11-amino-23-(4-aminobutyl)-6-carboxy-14-(3-((diaminomethylene)amino)propyl)-1,4,12,15,18,21,24,27-octaoxooctacosahydro-1H-pyrrolo[2,1-j][1,2]dithia[5,8,11,14,17,20,23,26]octaazacyclononacosine-3,20-diyl)diacetic acid |
|---|---|
| IUPAC Name | 2,2'-((3S,6R,11R,14S,20S,23S,31aS)-11-amino-23-(4-aminobutyl)-6-carboxy-14-(3-((diaminomethylene)amino)propyl)-1,4,12,15,18,21,24,27-octaoxooctacosahydro-1H-pyrrolo[2,1-j][1,2]dithia[5,8,11,14,17,20,23,26]octaazacyclononacosine-3,20-diyl)diacetic acid |
| Molecular Formula | C35H57N13O14S2 |
| Molecular Weight | 948.05 |
| SMILES | NCCCC[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)CNC1=O |
| InChI Key | YHTTWXCDIRTOQX-FQJIPJFPSA-N |
| Synonym | L-Cysteine, L-cysteinyl-L-arginylglycyl-L-alpha-aspartyl-L-lysylglycyl-L-prolyl-L-alpha-aspartyl-, cyclic (1->9)-disulfide | (6S,9S,15S,18R,23R,26S,29S)-18-amino-6-(4-aminobutyl)-9,26-bis(carboxymethyl)-15-[3-(diaminomethylideneamino)propyl]-2,5,8,11,14,1 |
| CAS No. | 1392278-76-0 |
| PubChem CID | 134611625 |
Synthetic Route by SureRoute
2. ACZYCV213 Molecular Building Block Synthetic Route
Certepetide
(4R,7S,13S,16R)-16-Acetamido-7-(carboxymethyl)-13-(3-guanidinopropyl)-17,17-dimethyl-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetraazacycloheptadecane-4-carboxylic acid
((S)-2-((S)-2-((S)-2-((S)-2-((S)-1-(L-cysteinylglycylglycylglycyl)pyrrolidine-2-carboxamido)-6-aminohexanamido)-6-aminohexanamido)-6-aminohexanamido)-5-((diaminomethylene)amino)pentanoyl)-L-lysyl-L-valyl-L-glutamyl-L-aspartic acid