Account (S)-1-(L-leucyl-L-isoleucyl-L-prolyl)-N-((S)-1-(((S)-1-(((S)-1,6-diamino-1-oxohexan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide
- Catalog No. :
- ACDJZX502
- CAS No. :
- 115722-23-1
- Molecular Formula :
- C48H70N10O7
- Molecular Weight :
- 899.15
IUPAC Name:(S)-1-(L-leucyl-L-isoleucyl-L-prolyl)-N-((S)-1-(((S)-1-(((S)-1,6-diamino-1-oxohexan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide
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Product Information
| Product Name | (S)-1-(L-leucyl-L-isoleucyl-L-prolyl)-N-((S)-1-(((S)-1-(((S)-1,6-diamino-1-oxohexan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide |
|---|---|
| IUPAC Name | (S)-1-(L-leucyl-L-isoleucyl-L-prolyl)-N-((S)-1-(((S)-1-(((S)-1,6-diamino-1-oxohexan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide |
| MDL No. | MFCD00273536 |
| Molecular Formula | C48H70N10O7 |
| Molecular Weight | 899.15 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CCCCN)C(N)=O |
| InChI Key | IVORLIHJCUSAQL-USNVFINLSA-N |
| Synonym | L-Lysinamide, L-leucyl-L-isoleucyl-L-prolyl-L-prolyl-L-phenylalanyl-L-tryptophyl- (9CI);Cardiotoxin Analog |
| CAS No. | 115722-23-1 |
Synthetic Route by SureRoute
2. ACDJZX502 Molecular Building Block Synthetic Route
(3S,6S,9S,15S,20aS)-6-((1H-Indol-3-yl)methyl)-3,15-diisopropyl-9-methyltetradecahydropyrrolo[1,2-a][1,4,7,10,13,16]hexaazacyclooctadecine-1,4,7,10,13,16-hexaone
(S)-1-(L-leucyl-L-isoleucyl-L-prolyl)-N-((S)-1-(((S)-1-(((S)-1,6-diamino-1-oxohexan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide, 2,2,2-trifluoroacetate salt
(S)-N-((S)-1-(((S)-6-Amino-1-(((S)-1-((S)-2-(((S)-1-(((S)-1-((S)-2-(((S)-1-(((S)-1-(((S)-1-amino-5-guanidino-1-oxopentan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-1-oxohexan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)-1-((S)-2-((2S,3S)-2-amino-3-methylpentanamido)-4-methylpentanoyl)pyrrolidine-2-carboxamide