Account (S)-5-(((S)-1-(((S)-1-(((4S,7S,10S,13S)-4-((1H-indol-3-yl)methyl)-13-carbamoyl-10-(carboxymethyl)-7-(2-(methylthio)ethyl)-2,5,8,11-tetraoxo-14-phenyl-3,6,9,12-tetraazatetradecyl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-1-oxopropan-2-yl)amino)-4-((S)-4-carboxy-2-((S)-4-carboxy-2-((S)-4-carboxy-2-((S)-4-carboxy-2-((S)-4-(methylthio)-2-((S)-1-(((S)-5-oxopyrrolidine-2-carbonyl)-L-arginyl-L-prolyl)pyrrolidine-2-carboxamido)butanamido)butanamido)butanamido)butanamido)butanamido)-5-oxopentanoic acid
- Catalog No. :
- ACOJBQ636
- CAS No. :
- 81123-06-0
- Molecular Formula :
- C94H128N22O31S2
- Molecular Weight :
- 2126.31
IUPAC Name:(S)-5-(((S)-1-(((S)-1-(((4S,7S,10S,13S)-4-((1H-indol-3-yl)methyl)-13-carbamoyl-10-(carboxymethyl)-7-(2-(methylthio)ethyl)-2,5,8,11-tetraoxo-14-phenyl-3,6,9,12-tetraazatetradecyl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-1-oxopropan-2-yl)amino)-4-((S)-4-carboxy-2-((S)-4-carboxy-2-((S)-4-carboxy-2-((S)-4-carboxy-2-((S)-4-(methylthio)-2-((S)-1-(((S)-5-oxopyrrolidine-2-carbonyl)-L-arginyl-L-prolyl)pyrrolidine-2-carboxamido)butanamido)butanamido)butanamido)butanamido)butanamido)-5-oxopentanoic acid
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Product Information
| Product Name | (S)-5-(((S)-1-(((S)-1-(((4S,7S,10S,13S)-4-((1H-indol-3-yl)methyl)-13-carbamoyl-10-(carboxymethyl)-7-(2-(methylthio)ethyl)-2,5,8,11-tetraoxo-14-phenyl-3,6,9,12-tetraazatetradecyl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-1-oxopropan-2-yl)amino)-4-((S)-4-carboxy-2-((S)-4-carboxy-2-((S)-4-carboxy-2-((S)-4-carboxy-2-((S)-4-(methylthio)-2-((S)-1-(((S)-5-oxopyrrolidine-2-carbonyl)-L-arginyl-L-prolyl)pyrrolidine-2-carboxamido)butanamido)butanamido)butanamido)butanamido)butanamido)-5-oxopentanoic acid |
|---|---|
| IUPAC Name | (S)-5-(((S)-1-(((S)-1-(((4S,7S,10S,13S)-4-((1H-indol-3-yl)methyl)-13-carbamoyl-10-(carboxymethyl)-7-(2-(methylthio)ethyl)-2,5,8,11-tetraoxo-14-phenyl-3,6,9,12-tetraazatetradecyl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-1-oxopropan-2-yl)amino)-4-((S)-4-carboxy-2-((S)-4-carboxy-2-((S)-4-carboxy-2-((S)-4-carboxy-2-((S)-4-(methylthio)-2-((S)-1-(((S)-5-oxopyrrolidine-2-carbonyl)-L-arginyl-L-prolyl)pyrrolidine-2-carboxamido)butanamido)butanamido)butanamido)butanamido)butanamido)-5-oxopentanoic acid |
| MDL No. | MFCD00076501 |
| Molecular Formula | C94H128N22O31S2 |
| Molecular Weight | 2126.31 |
| SMILES | CSCC[C@H](NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)CNC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O |
| InChI Key | FUTWNIPXZKAJHO-FKZYTOAASA-N |
| Synonym | GASTRIN (RAT);GASTRIN, RAT (1-17);Gastrin I, rat, ≥97% (HPLC);PYR-ARG-PRO-PRO-MET-GLU-GLU-GLU-GLU-GLU-ALA-TYR-GLY-TRP-MET-ASP-PHE-NH2;PYR-RPPMEEEEEAYGWMDF-NH2;PGLU-ARG-PRO-PRO-MET-GLU-GLU-GLU-GLU-GLU-ALA-TYR-GLY-TRP-MET-ASP-PHE-NH2;5-Oxo-L-Pro-L-Arg-L-Pro-L-Pro-L-Met-L-Glu-L-Glu-L-Glu-L-Glu-L-Glu-L-Ala-L-Tyr-Gly-L-Trp-L-Met-L-Asp-L-Phe-NH2;Gastrin I heptadecapeptide【rat】 |
| CAS No. | 81123-06-0 |
Synthetic Route by SureRoute
2. ACOJBQ636 Molecular Building Block Synthetic Route
(S)-4-((S)-2-((S)-3-(1H-indol-3-yl)-2-((S)-1-(((S)-5-oxopyrrolidine-2-carbonyl)glycyl)pyrrolidine-2-carboxamido)propanamido)-4-methylpentanamido)-5-(((S)-1-(((S)-1-(((S)-1-(((S)-1-(((S)-1-(((S)-1-(((4S,7S,10S,13S)-4-((1H-indol-3-yl)methyl)-13-carbamoyl-10-(carboxymethyl)-7-(2-(methylthio)ethyl)-2,5,8,11-tetraoxo-14-phenyl-3,6,9,12-tetraazatetradecyl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-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-carboxy-1-oxobutan-2-yl)amino)-5-oxopentanoic acid
(S)-4-((S)-1-(L-aspartyl-L-methionyl-L-arginyl)pyrrolidine-2-carboxamido)-5-(((2S,3S)-1-(((S)-1-(((2S,3S)-1-(((S)-1-(((S)-5-amino-1-(((S)-1-(((S)-1-(((S)-1-(((S)-1-(((2S,3S)-1-(((4S,7S,10S,13S,16S,19S,22S)-13-(2-amino-2-oxoethyl)-10-benzyl-22-(((S)-1-(((S)-1-(((S)-1-carboxy-4-guanidinobutyl)amino)-5-guanidino-1-oxopentan-2-yl)amino)-1-oxopropan-2-yl)carbamoyl)-7-(2-carboxyethyl)-4-(carboxymethyl)-19-(4-hydroxybenzyl)-23-(4-hydroxyphenyl)-16-methyl-2,5,8,11,14,17,20-heptaoxo-3,6,9,12,15,18,21-heptaazatricosyl)amino)-3-methyl-1-oxopentan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-4-carboxy-1-oxobutan-2-yl)amino)-1,5-dioxopentan-2-yl)amino)-1-oxopropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)amino)-5-oxopentanoic acid
4-(2-(3-(1H-indol-3-yl)-2-(1-((5-oxopyrrolidine-2-carbonyl)glycyl)pyrrolidine-2-carboxamido)propanamido)-4-methylpentanamido)-5-((1-((1-((1-((1-((1-((1-((4-((1H-indol-3-yl)methyl)-13-carbamoyl-10-(carboxymethyl)-7-isobutyl-2,5,8,11-tetraoxo-14-phenyl-3,6,9,12-tetraazatetradecyl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-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-carboxy-1-oxobutan-2-yl)amino)-5-oxopentanoic acid