Account (10S,13S,16S)-10-((1H-Indol-3-yl)methyl)-16-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl)-2,2-dimethyl-13-(2-(methylthio)ethyl)-4,8,11,14-tetraoxo-3-oxa-5,9,12,15-tetraazaoctadecan-18-oic acid
- Catalog No. :
- ACBJML826
- CAS No. :
- 5534-95-2
- Molecular Formula :
- C37H49N7O9S
- Molecular Weight :
- 767.91
IUPAC Name:(10S,13S,16S)-10-((1H-indol-3-yl)methyl)-16-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl)-2,2-dimethyl-13-(2-(methylthio)ethyl)-4,8,11,14-tetraoxo-3-oxa-5,9,12,15-tetraazaoctadecan-18-oic acid
Pack SizePurityList PriceYour PriceGlobal StockUS StockQuantity
100mg98%$140.00Login to see priceIn stockInquiry
250mg98%$266.00Login to see priceIn stockInquiry
1g98%$719.00Login to see priceIn stockInquiry
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Product Information
| Product Name | (10S,13S,16S)-10-((1H-Indol-3-yl)methyl)-16-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl)-2,2-dimethyl-13-(2-(methylthio)ethyl)-4,8,11,14-tetraoxo-3-oxa-5,9,12,15-tetraazaoctadecan-18-oic acid |
|---|---|
| IUPAC Name | (10S,13S,16S)-10-((1H-indol-3-yl)methyl)-16-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl)-2,2-dimethyl-13-(2-(methylthio)ethyl)-4,8,11,14-tetraoxo-3-oxa-5,9,12,15-tetraazaoctadecan-18-oic acid |
| MDL No. | MFCD00076515 |
| Molecular Formula | C37H49N7O9S |
| Molecular Weight | 767.91 |
| SMILES | O=C(N[C@@H](CCSC)C(N[C@@H](CC(O)=O)C(N[C@H](C(N)=O)CC1=CC=CC=C1)=O)=O)[C@@H](NC(CCNC(OC(C)(C)C)=O)=O)CC2=CNC3=C2C=CC=C3 |
| InChI Key | NEYNJQRKHLUJRU-DZUOILHNSA-N |
| Synonym | ICI-50123 | CHEBI:31974 | CAS-5534-95-2 | DTXCID9028918 | N-t-Butyloxycarbonyl-beta-alanyl-L-tryptophyl-L-methion yl-L-aspartyl-L-phenylalanine amide | pentagastrin | Alaninamide, N-carboxy-beta-alanyl-L-tryptophyl-L-methionyl-L-aspartylphenyl-, N-tert-bu |
| CAS No. | 5534-95-2 |
| PubChem CID | 9853654 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACBJML826 Molecular Building Block Synthetic Route
(5S,11S,14S,17S)-11-((1H-Indol-3-yl)methyl)-17-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl)-5-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-14-(2-(methylthio)ethyl)-6,9,12,15-tetraoxo-2-thia-7,10,13,16-tetraazanonadecan-19-oic acid
(3S,6S,9S,15S,18S,21S)-9-((1H-indol-3-yl)methyl)-21-amino-3-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl)-18-(4-hydroxybenzyl)-6,15-bis(2-(methylthio)ethyl)-5,8,11,14,17,20-hexaoxo-4,7,10,13,16,19-hexaazatricosanedioic acid
CCK (26-31) (non-sulfated)