Account Tigapotide
- Catalog No. :
- ACRGFV914
- CAS No. :
- 848084-83-3
- Molecular Formula :
- C82H119N21O34S3
- Molecular Weight :
- 2039.17
IUPAC Name:(2S,5S,8S,11R,14S,17R,20S,23S,26R,29S,32S,35S,38S,41S,44S)-41-((1H-indol-3-yl)methyl)-11,17,26-tris(((acetamidomethyl)thio)methyl)-44-amino-29-(2-amino-2-oxoethyl)-38-(3-amino-3-oxopropyl)-5,23-bis(2-carboxyethyl)-32-(carboxymethyl)-8-(4-hydroxybenzyl)-2,14,20,35-tetrakis((R)-1-hydroxyethyl)-4,7,10,13,16,19,22,25,28,31,34,37,40,43-tetradecaoxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaazaheptatetracontanedioic acid
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Product Information
| Product Name | Tigapotide |
|---|---|
| IUPAC Name | (2S,5S,8S,11R,14S,17R,20S,23S,26R,29S,32S,35S,38S,41S,44S)-41-((1H-indol-3-yl)methyl)-11,17,26-tris(((acetamidomethyl)thio)methyl)-44-amino-29-(2-amino-2-oxoethyl)-38-(3-amino-3-oxopropyl)-5,23-bis(2-carboxyethyl)-32-(carboxymethyl)-8-(4-hydroxybenzyl)-2,14,20,35-tetrakis((R)-1-hydroxyethyl)-4,7,10,13,16,19,22,25,28,31,34,37,40,43-tetradecaoxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaazaheptatetracontanedioic acid |
| Molecular Formula | C82H119N21O34S3 |
| Molecular Weight | 2039.17 |
| SMILES | C[C@@H](O)[C@@H](C(O)=O)NC([C@H](CCC(O)=O)NC([C@H](CC1=CC=C(O)C=C1)NC([C@H](CSCNC(C)=O)NC([C@H]([C@H](O)C)NC([C@H](CSCNC(C)=O)NC([C@H]([C@H](O)C)NC([C@H](CCC(O)=O)NC([C@H](CSCNC(C)=O)NC([C@H](CC(N)=O)NC([C@H](CC(O)=O)NC([C@H]([C@H](O)C)NC([C@H](CCC(N)=O)NC([C@H](CC2=CNC3=C2C=CC=C3)NC([C@H](CCC(O)=O)N)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O |
| InChI Key | ZRXXHPDJLAQCPC-SFJRRRFZSA-N |
| Synonym | TIGAPOTIDE;ZRXXHPDJLAQCPC-SFJRRRFZSA-N;L-Threonine, L-α-glutamyl-L-tryptophyl-L-glutaminyl-L-threonyl-L-α-aspartyl-L-asparaginyl-S-[(acetylamino)methyl]-L-cysteinyl-L-α-glutamyl-L-threonyl-S-[(acetylamino)methyl]-L-cysteinyl-L-threonyl-S-[(acetylamino)methyl]-L-cysteinyl-L-tyrosyl-L-α-glutamyl-;Tigapotide Free Base |
| CAS No. | 848084-83-3 |
Synthetic Route by SureRoute
2. ACRGFV914 Molecular Building Block Synthetic Route
-
((4R,7S,16S)-13-((1H-indol-3-yl)methyl)-19-((R)-2-amino-3-phenylpropanamido)-10-(4-aminobutyl)-16-(4-hydroxybenzyl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)-L-threonine
(4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-22-((1H-indol-3-yl)methyl)-31-(2-amino-2-oxoethyl)-37-(2-((S)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)propanamido)acetamido)-19,34-bis(4-aminobutyl)-13,25,28-tribenzyl-10,16-bis((R)-1-hydroxyethyl)-7-(hydroxymethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecaazacyclooctatriacontane-4-carboxylic acid