Account Berlopentin
- Catalog No. :
- ACDIGP159
- CAS No. :
- 91418-71-2
- Molecular Formula :
- C35H55N9O11
- Molecular Weight :
- 777.88
IUPAC Name:(6S,9S,12S,15S,18S)-6-acetamido-9-(4-acetamidobutyl)-1,1-diamino-12-(2-carboxyethyl)-18-(4-hydroxybenzyl)-15-isopropyl-7,10,13,16-tetraoxo-2,8,11,14,17-pentaazanonadec-1-en-19-oic acid
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Product Information
| Product Name | Berlopentin |
|---|---|
| IUPAC Name | (6S,9S,12S,15S,18S)-6-acetamido-9-(4-acetamidobutyl)-1,1-diamino-12-(2-carboxyethyl)-18-(4-hydroxybenzyl)-15-isopropyl-7,10,13,16-tetraoxo-2,8,11,14,17-pentaazanonadec-1-en-19-oic acid |
| Molecular Formula | C35H55N9O11 |
| Molecular Weight | 777.88 |
| SMILES | O=C(O)[C@H](CC1=CC=C(O)C=C1)NC([C@H](C(C)C)NC([C@H](CCC(O)=O)NC([C@H](CCCCNC(C)=O)NC([C@@H](NC(C)=O)CCCNC(N)=N)=O)=O)=O)=O |
| InChI Key | KSWRINCJIKCVPA-RRUDZPKISA-N |
| Synonym | berlopentin;DA SP-5;Diacetylsplenopentine |
| CAS No. | 91418-71-2 |
Synthetic Route by SureRoute
2. ACDIGP159 Molecular Building Block Synthetic Route
Diacetylsplenopentin HCl
1,1,6-triamino-9-(4-aminobutyl)-12-(2-carboxyethyl)-18-(4-hydroxybenzyl)-15-isopropyl-7,10,13,16-tetraoxo-2,8,11,14,17-pentaazanonadec-1-en-19-oic acid--acetic acid (1/1)
(S)-3-Amino-4-(((S)-1-(((S)-1-(((S)-1-carboxy-2-(4-hydroxyphenyl)ethyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)amino)-4-oxobutanoic acid