Account benzyl (6S,9S,12S)-6-((1H-indol-3-yl)methyl)-12-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl)-2,2-dimethyl-9-(2-(methylthio)ethyl)-4,7,10-trioxo-3-oxa-5,8,11-triazatetradecan-14-oate
- Catalog No. :
- ACSVTD553
- CAS No. :
- 78700-57-9
- Molecular Formula :
- C41H50N6O8S
- Molecular Weight :
- 786.95
IUPAC Name:benzyl (6S,9S,12S)-6-((1H-indol-3-yl)methyl)-12-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl)-2,2-dimethyl-9-(2-(methylthio)ethyl)-4,7,10-trioxo-3-oxa-5,8,11-triazatetradecan-14-oate
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Product Information
| Product Name | benzyl (6S,9S,12S)-6-((1H-indol-3-yl)methyl)-12-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl)-2,2-dimethyl-9-(2-(methylthio)ethyl)-4,7,10-trioxo-3-oxa-5,8,11-triazatetradecan-14-oate |
|---|---|
| IUPAC Name | benzyl (6S,9S,12S)-6-((1H-indol-3-yl)methyl)-12-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl)-2,2-dimethyl-9-(2-(methylthio)ethyl)-4,7,10-trioxo-3-oxa-5,8,11-triazatetradecan-14-oate |
| Molecular Formula | C41H50N6O8S |
| Molecular Weight | 786.95 |
| SMILES | CSCC[C@H](NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)OCC1=CC=CC=C1)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O |
| InChI Key | WQICQGUHVCFQAZ-CUPIEXAXSA-N |
| CAS No. | 78700-57-9 |
Synthetic Route by SureRoute
2. ACSVTD553 Molecular Building Block Synthetic Route
(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
((S)-2-((S)-2-((tert-Butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanamido)-3,3-dimethylbutanoyl)-D-asparagine
Z-Trp-Lys(Boc)-NH2