Account N1-(11-((1H-imidazol-5-yl)methyl)-23-((1H-indol-3-yl)methyl)-43-amino-29-(2-amino-2-oxoethyl)-26-(3-amino-3-oxopropyl)-5-carbamoyl-43-imino-8,35-diisobutyl-17-isopropyl-20-methyl-7,10,13,16,19,22,25,28,31,34,37-undecaoxo-2-thia-6,9,12,15,18,21,24,27,30,33,36,42-dodecaazatritetracontan-38-yl)-2-(5-oxopyrrolidine-2-carboxamido)pentanediamide acetate
- Catalog No. :
- ACCWAH231
- CAS No. :
- 1222319-87-0
- Molecular Formula :
- C73H114N24O20S
- Molecular Weight :
- 1679.93
IUPAC Name:N1-(11-((1H-imidazol-5-yl)methyl)-23-((1H-indol-3-yl)methyl)-43-amino-29-(2-amino-2-oxoethyl)-26-(3-amino-3-oxopropyl)-5-carbamoyl-43-imino-8,35-diisobutyl-17-isopropyl-20-methyl-7,10,13,16,19,22,25,28,31,34,37-undecaoxo-2-thia-6,9,12,15,18,21,24,27,30,33,36,42-dodecaazatritetracontan-38-yl)-2-(5-oxopyrrolidine-2-carboxamido)pentanediamide acetate
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Product Information
| Product Name | N1-(11-((1H-imidazol-5-yl)methyl)-23-((1H-indol-3-yl)methyl)-43-amino-29-(2-amino-2-oxoethyl)-26-(3-amino-3-oxopropyl)-5-carbamoyl-43-imino-8,35-diisobutyl-17-isopropyl-20-methyl-7,10,13,16,19,22,25,28,31,34,37-undecaoxo-2-thia-6,9,12,15,18,21,24,27,30,33,36,42-dodecaazatritetracontan-38-yl)-2-(5-oxopyrrolidine-2-carboxamido)pentanediamide acetate |
|---|---|
| IUPAC Name | N1-(11-((1H-imidazol-5-yl)methyl)-23-((1H-indol-3-yl)methyl)-43-amino-29-(2-amino-2-oxoethyl)-26-(3-amino-3-oxopropyl)-5-carbamoyl-43-imino-8,35-diisobutyl-17-isopropyl-20-methyl-7,10,13,16,19,22,25,28,31,34,37-undecaoxo-2-thia-6,9,12,15,18,21,24,27,30,33,36,42-dodecaazatritetracontan-38-yl)-2-(5-oxopyrrolidine-2-carboxamido)pentanediamide acetate |
| Molecular Formula | C73H114N24O20S |
| Molecular Weight | 1679.93 |
| SMILES | CC(=O)O.CSCCC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CN=CN1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C(CCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(N)=O)NC(=O)C1CCC(=O)N1)C(C)C)C(N)=O |
| InChI Key | KWYGODXEILBTFB-UHFFFAOYSA-N |
| Synonym | Bombesin, acetate (1:);Bombesin acetate(31362 50 2 free base),Bombesin acetate(31362502 free base);Bombesin acetate(31362-50-2 free base) |
| CAS No. | 1222319-87-0 |
Synthetic Route by SureRoute
2. ACCWAH231 Molecular Building Block Synthetic Route
(S)-N1-((5S,8S,11S,17S,20S,23S,26S,29S,35S,38S)-11-((1H-imidazol-5-yl)methyl)-23-((1H-indol-3-yl)methyl)-43-amino-29-(2-amino-2-oxoethyl)-26-(3-amino-3-oxopropyl)-5-carbamoyl-43-imino-8,35-diisobutyl-17-isopropyl-20-methyl-7,10,13,16,19,22,25,28,31,34,37-undecaoxo-2-thia-6,9,12,15,18,21,24,27,30,33,36,42-dodecaazatritetracontan-38-yl)-2-((S)-5-oxopyrrolidine-2-carboxamido)pentanediamide
(2S)-N1-((2S)-1-(((2S)-1-((1-((2-(((S)-1-(((S)-1-(((S)-1-amino-4-(methylthio)-1-oxobutan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl)amino)-2-oxoethyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-1-oxopropan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)-2-((2S)-1-((5-oxopyrrolidine-2-carbonyl)valyl)pyrrolidine-2-carboxamido)pentanediamide
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