Account (2S,5S,8S,11S,17S,20S,23S,26S,29S,32S,35S,38S)-2-((1H-imidazol-5-yl)methyl)-1-((S)-2-(((S)-6-amino-1-(((S)-1-((S)-2-(((S)-1-(((2S,3S)-1-(((S)-1-carboxy-3-methylbutyl)amino)-3-methyl-1-oxopentan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-5-guanidino-1-oxopentan-2-yl)amino)-1-oxohexan-2-yl)carbamoyl)pyrrolidin-1-yl)-38-((5S,8S,11S,14S,17S)-5-amino-14-(4-aminobutyl)-17-benzyl-11-((R)-1-hydroxyethyl)-8-isobutyl-6,9,12,15-tetraoxo-2-thia-7,10,13,16-tetraazaoctadecan-18-amido)-17,32-bis(4-aminobutyl)-5-benzyl-23-(3-guanidinopropyl)-35-((R)-1-hydroxyethyl)-8,29-bis(hydroxymethyl)-11-isobutyl-20-isopropyl-26-methyl-1,4,7,10,13,16,19,22,25,28,31,34,37-tridecaoxo-3,6,9,12,15,18,21,24,27,30,33,36-dodecaazahentetracontan-41-oic acid
- Catalog No. :
- ACYYQH794
- CAS No. :
- 144092-28-4
- Molecular Formula :
- C139H224N38O32S
- Molecular Weight :
- 2971.62
IUPAC Name:(2S,5S,8S,11S,17S,20S,23S,26S,29S,32S,35S,38S)-2-((1H-imidazol-5-yl)methyl)-1-((S)-2-(((S)-6-amino-1-(((S)-1-((S)-2-(((S)-1-(((2S,3S)-1-(((S)-1-carboxy-3-methylbutyl)amino)-3-methyl-1-oxopentan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-5-guanidino-1-oxopentan-2-yl)amino)-1-oxohexan-2-yl)carbamoyl)pyrrolidin-1-yl)-38-((5S,8S,11S,14S,17S)-5-amino-14-(4-aminobutyl)-17-benzyl-11-((R)-1-hydroxyethyl)-8-isobutyl-6,9,12,15-tetraoxo-2-thia-7,10,13,16-tetraazaoctadecan-18-amido)-17,32-bis(4-aminobutyl)-5-benzyl-23-(3-guanidinopropyl)-35-((R)-1-hydroxyethyl)-8,29-bis(hydroxymethyl)-11-isobutyl-20-isopropyl-26-methyl-1,4,7,10,13,16,19,22,25,28,31,34,37-tridecaoxo-3,6,9,12,15,18,21,24,27,30,33,36-dodecaazahentetracontan-41-oic acid
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Product Information
| Product Name | (2S,5S,8S,11S,17S,20S,23S,26S,29S,32S,35S,38S)-2-((1H-imidazol-5-yl)methyl)-1-((S)-2-(((S)-6-amino-1-(((S)-1-((S)-2-(((S)-1-(((2S,3S)-1-(((S)-1-carboxy-3-methylbutyl)amino)-3-methyl-1-oxopentan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-5-guanidino-1-oxopentan-2-yl)amino)-1-oxohexan-2-yl)carbamoyl)pyrrolidin-1-yl)-38-((5S,8S,11S,14S,17S)-5-amino-14-(4-aminobutyl)-17-benzyl-11-((R)-1-hydroxyethyl)-8-isobutyl-6,9,12,15-tetraoxo-2-thia-7,10,13,16-tetraazaoctadecan-18-amido)-17,32-bis(4-aminobutyl)-5-benzyl-23-(3-guanidinopropyl)-35-((R)-1-hydroxyethyl)-8,29-bis(hydroxymethyl)-11-isobutyl-20-isopropyl-26-methyl-1,4,7,10,13,16,19,22,25,28,31,34,37-tridecaoxo-3,6,9,12,15,18,21,24,27,30,33,36-dodecaazahentetracontan-41-oic acid |
|---|---|
| IUPAC Name | (2S,5S,8S,11S,17S,20S,23S,26S,29S,32S,35S,38S)-2-((1H-imidazol-5-yl)methyl)-1-((S)-2-(((S)-6-amino-1-(((S)-1-((S)-2-(((S)-1-(((2S,3S)-1-(((S)-1-carboxy-3-methylbutyl)amino)-3-methyl-1-oxopentan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-5-guanidino-1-oxopentan-2-yl)amino)-1-oxohexan-2-yl)carbamoyl)pyrrolidin-1-yl)-38-((5S,8S,11S,14S,17S)-5-amino-14-(4-aminobutyl)-17-benzyl-11-((R)-1-hydroxyethyl)-8-isobutyl-6,9,12,15-tetraoxo-2-thia-7,10,13,16-tetraazaoctadecan-18-amido)-17,32-bis(4-aminobutyl)-5-benzyl-23-(3-guanidinopropyl)-35-((R)-1-hydroxyethyl)-8,29-bis(hydroxymethyl)-11-isobutyl-20-isopropyl-26-methyl-1,4,7,10,13,16,19,22,25,28,31,34,37-tridecaoxo-3,6,9,12,15,18,21,24,27,30,33,36-dodecaazahentetracontan-41-oic acid |
| MDL No. | MFCD04041204 |
| Molecular Formula | C139H224N38O32S |
| Molecular Weight | 2971.62 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCSC)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O |
| InChI Key | IDHVLSACPFUBDY-QCDLPZBNSA-N |
| Synonym | H-Met-Leu-Thr-Lys-Phe-Glu-Thr-Lys-Ser-Ala-Arg-Val-Lys-Gly-Leu-Ser-Phe-His-Pro-Lys-Arg-Pro-Trp-Ile-Leu-OH;XENIN 25 ACETATE SALT ≥95%;Human xenin;Human xenopsin;Xenopsin 25;L-Leucine,L-methionyl-L-leucyl-L-threonyl-L-lysyl-L-phenylalanyl-L-a-glutamyl-L-threonyl-L-lysyl-L-seryl-L-alanyl-L-arginyl-L-valyl-L-lysylglycyl-L-leucyl-L-seryl-L-phenylalanyl-L-histidyl-L-prolyl-L-lysyl-L-arginyl-L-prolyl-L-tryptophyl-L-isoleucyl-;Xenin 25 acetate salt, ≥95% (HPLC);L-Leucine, L-methionyl-L-leucyl-L-threonyl-L-lysyl-L-phenylalanyl-L-α-glutamyl-L-threonyl-L-lysyl-L-seryl-L-alanyl-L-arginyl-L-valyl-L-lysylglycyl-L-leucyl-L-seryl-L-phenylalanyl-L-histidyl-L-prolyl-L-lysyl-L-arginyl-L-prolyl-L-tryptophyl-L-isoleucyl- |
| CAS No. | 144092-28-4 |
| PubChem CID | 16131039 |
Synthetic Route by SureRoute
2. ACYYQH794 Molecular Building Block Synthetic Route
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Exendin-4
(4S)-5-[[2-[[(2S,3R)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[2-[[2-[(2S)-2-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-4-[[2-[[(2S)-2-amino-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-5-oxopentanoic acid