Account Elpamotide
- Catalog No. :
- ACPMXB687
- CAS No. :
- 673478-49-4
- Molecular Formula :
- C47H76N16O13
- Molecular Weight :
- 1073.22
IUPAC Name:((S)-2-((S)-4-amino-2-(2-((S)-2-((S)-1-(((S)-2-amino-5-((diaminomethylene)amino)pentanoyl)-L-phenylalanyl-L-valyl)pyrrolidine-2-carboxamido)-3-carboxypropanamido)acetamido)-4-oxobutanamido)-5-((diaminomethylene)amino)pentanoyl)-L-isoleucine
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Product Information
| Product Name | Elpamotide |
|---|---|
| IUPAC Name | ((S)-2-((S)-4-amino-2-(2-((S)-2-((S)-1-(((S)-2-amino-5-((diaminomethylene)amino)pentanoyl)-L-phenylalanyl-L-valyl)pyrrolidine-2-carboxamido)-3-carboxypropanamido)acetamido)-4-oxobutanamido)-5-((diaminomethylene)amino)pentanoyl)-L-isoleucine |
| Molecular Formula | C47H76N16O13 |
| Molecular Weight | 1073.22 |
| SMILES | CC[C@H](C)[C@@H](C(O)=O)NC([C@H](CCCNC(N)=N)NC([C@H](CC(N)=O)NC(CNC([C@H](CC(O)=O)NC([C@H]1N(C([C@H](C(C)C)NC([C@H](CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)N)=O)=O)=O)CCC1)=O)=O)=O)=O)=O |
| InChI Key | ZAJHBCDPAUKEPU-GIKXZWSFSA-N |
| Synonym | Elpamotide;L-Isoleucine, L-arginyl-L-phenylalanyl-L-valyl-L-prolyl-L-α-aspartylglycyl-L-asparaginyl-L-arginyl- |
| CAS No. | 673478-49-4 |
Synthetic Route by SureRoute
2. ACPMXB687 Molecular Building Block Synthetic Route
(S)-4-((S)-2-((S)-2-(2-((S)-2-(2-(2-(2-(2-((S)-1-(D-phenylalanyl-L-prolyl-L-arginyl)pyrrolidine-2-carboxamido)acetamido)acetamido)acetamido)acetamido)-4-amino-4-oxobutanamido)acetamido)-3-carboxypropanamido)-3-phenylpropanamido)-5-(((S)-4-carboxy-1-(((2S,3S)-1-((S)-2-(((S)-4-carboxy-1-(((S)-4-carboxy-1-(((S)-1-(((S)-1-carboxy-3-methylbutyl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)carbamoyl)pyrrolidin-1-yl)-3-methyl-1-oxopentan-2-yl)amino)-1-oxobutan-2-yl)amino)-5-oxopentanoic acid
15-(2-amino-2-oxoethyl)-24-benzyl-30-(((2S)-1-(2-((4-carboxy-1-((4-carboxy-1-((1-((1-carboxy-3-methylbutyl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)carbamoyl)pyrrolidin-1-yl)-3-methyl-1-oxopentan-2-yl)carbamoyl)-27-(2-carboxyethyl)-21-(carboxymethyl)-1,4,7,10,13,16,19,22,25,28-decaoxo-1-(1-(phenylalanylprolylarginyl)pyrrolidin-2-yl)-2,5,8,11,14,17,20,23,26,29-decaazatritriacontan-33-oic acid
L-phenylalanyl-L-glutaminyl-L-prolyl-L-glutaminyl-L-asparaginylglycyl-L-glutaminyl-L-phenylalanyl-L-isoleucine