Account Ro 23-7014
- Catalog No. :
- ACYIAP418
- CAS No. :
- 113714-78-6
- Molecular Formula :
- C48H63N9O16S4
- Molecular Weight :
- 1150.35
IUPAC Name:(5S,11S,14S,17S,18R)-11-((1H-indol-3-yl)methyl)-17-(((R)-1-amino-2-benzyl-1,3-dioxobutan-2-yl)(methyl)carbamoyl)-5-((S)-2-amino-3-(4-(sulfooxy)phenyl)propanamido)-14-(2-(methylthio)ethyl)-6,9,12,15-tetraoxo-2-thia-7,10,13,16-tetraazanonadecan-18-yl hydrogen sulfate
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Product Information
| Product Name | Ro 23-7014 |
|---|---|
| IUPAC Name | (5S,11S,14S,17S,18R)-11-((1H-indol-3-yl)methyl)-17-(((R)-1-amino-2-benzyl-1,3-dioxobutan-2-yl)(methyl)carbamoyl)-5-((S)-2-amino-3-(4-(sulfooxy)phenyl)propanamido)-14-(2-(methylthio)ethyl)-6,9,12,15-tetraoxo-2-thia-7,10,13,16-tetraazanonadecan-18-yl hydrogen sulfate |
| Molecular Formula | C48H63N9O16S4 |
| Molecular Weight | 1150.35 |
| SMILES | CSCC[C@H](NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC1=CC=C(OS(=O)(=O)O)C=C1)C(=O)N[C@H](C(=O)N(C)[C@](CC1=CC=CC=C1)(C(C)=O)C(N)=O)[C@@H](C)OS(=O)(=O)O |
| InChI Key | QLLNZWDONKQEDH-FSFWIGPWSA-N |
| Synonym | Ro 23-7014;L-Phenylalaninamide, N-acetyl-O-sulfo-L-tyrosyl-L-methionylglycyl-L-tryptophyl-L-methionyl-O-sulfo-L-threonyl-Nα-methyl- (9CI) |
| CAS No. | 113714-78-6 |
Synthetic Route by SureRoute
2. ACYIAP418 Molecular Building Block Synthetic Route
(3S,6S,9S,15S,18S,21S)-9-((1H-indol-3-yl)methyl)-3-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl)-21-((S)-5-amino-5-oxo-2-((S)-5-oxopyrrolidine-2-carboxamido)pentanamido)-15-((R)-1-hydroxyethyl)-6-(2-(methylthio)ethyl)-5,8,11,14,17,20-hexaoxo-18-(4-(sulfooxy)benzyl)-4,7,10,13,16,19-hexaazatricosanedioic acid
(S)-N1-((S)-5-amino-1-(((S)-1-(((S)-1-((2-(((S)-1-(((S)-1-amino-4-(methylthio)-1-oxobutan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-2-oxoethyl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-1,5-dioxopentan-2-yl)-2-((S)-1-(glycyl-L-tryptophyl-L-threonyl-L-leucyl-L-asparaginyl-L-seryl-L-alanylglycyl-L-tyrosyl-L-leucyl-L-leucylglycyl)pyrrolidine-2-carboxamido)pentanediamide
Etimumotide