Account Didemnin C
- Catalog No. :
- ACFPRG771
- CAS No. :
- 77327-06-1
- Molecular Formula :
- C52H82N6O14
- Molecular Weight :
- 1015.26
IUPAC Name:(R)-N-((3S,6R,7S,10R,11S,15S,17S,20S,25aS)-10-((S)-sec-butyl)-11-hydroxy-20-isobutyl-15-isopropyl-3-(4-methoxybenzyl)-2,6,17-trimethyl-1,4,8,13,16,18,21-heptaoxodocosahydro-15H-pyrrolo[2,1-f][1,15]dioxa[4,7,10,20]tetraazacyclotricosin-7-yl)-2-((S)-2-hydroxy-N-methylpropanamido)-4-methylpentanamide
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Product Information
| Product Name | Didemnin C |
|---|---|
| IUPAC Name | (R)-N-((3S,6R,7S,10R,11S,15S,17S,20S,25aS)-10-((S)-sec-butyl)-11-hydroxy-20-isobutyl-15-isopropyl-3-(4-methoxybenzyl)-2,6,17-trimethyl-1,4,8,13,16,18,21-heptaoxodocosahydro-15H-pyrrolo[2,1-f][1,15]dioxa[4,7,10,20]tetraazacyclotricosin-7-yl)-2-((S)-2-hydroxy-N-methylpropanamido)-4-methylpentanamide |
| Molecular Formula | C52H82N6O14 |
| Molecular Weight | 1015.26 |
| SMILES | CC(C)C[C@@H](N(C)C([C@@H](O)C)=O)C(N[C@@H]1C(N[C@H]([C@@H](C)CC)[C@@H](O)CC(O[C@@H](C(C)C)C([C@H](C)C(N[C@@H](CC(C)C)C(N2[C@](CCC2)([H])C(N(C)[C@@H](CC3=CC=C(OC)C=C3)C(O[C@@H]1C)=O)=O)=O)=O)=O)=O)=O)=O |
| InChI Key | ZRSXZCRRAOVIJD-KNKJEZLASA-N |
| Synonym | Didemnin C;N-(L-Lac-N-Methyl-D-Leu-)cyclo[L-Thr*-[(3S,4R)-3-hydroxy-4-[(S)-1-methylpropyl]-γAbu-]-[(2S,4S)-4-hydroxy*-2,5-dimethyl-2-deamino-3-oxo-D-Nle-]-L-Leu-L-Pro-N,O-dimethyl-L-Tyr-];L-Tyrosine, N-[(2S)-2-hydroxy-1-oxopropyl]-N-methyl-D-leucyl-L-threonyl-(3S,4R,5S)-4-amino-3-hydroxy-5-methylheptanoyl-(2S,4S)-4-hydroxy-2,5-dimethyl-3-oxohexanoyl-L-leucyl-L-prolyl-N,O-dimethyl-, (7→2)-lactone |
| CAS No. | 77327-06-1 |
Synthetic Route by SureRoute
2. ACFPRG771 Molecular Building Block Synthetic Route
(S)-N-((R)-1-(((3S,6R,7S,10R,11S,15S,17S,20S,25aS)-10-((S)-sec-butyl)-11-hydroxy-20-isobutyl-15-isopropyl-3-(4-methoxybenzyl)-2,6,17-trimethyl-1,4,8,13,16,18,21-heptaoxodocosahydro-15H-pyrrolo[2,1-f][1,15]dioxa[4,7,10,20]tetraazacyclotricosin-7-yl)amino)-4-methyl-1-oxopentan-2-yl)-1-((S)-2-hydroxypropanoyl)-N-methylpyrrolidine-2-carboxamide
(S)-N-((R)-1-(((3S,6R,7S,10R,11S,15S,17S,20S,25aS)-10-((S)-sec-butyl)-11-hydroxy-20-isobutyl-15-isopropyl-3-(4-methoxybenzyl)-2,6,17-trimethyl-1,4,8,13,16,18,21-heptaoxodocosahydro-15H-pyrrolo[2,1-f][1,15]dioxa[4,7,10,20]tetraazacyclotricosin-7-yl)amino)-
(3S,6S,9S,12S,15R,18S,21S,24S,29aS)-21,24-Dibenzyl-3,15-di((R)-sec-butyl)-12-(2-hydroxypropan-2-yl)-9-isobutyl-6,18-diisopropyl-5,11,17,23-tetramethyloctadecahydro-1H,15H-pyrrolo[1,2-m][1]oxa[4,7,10,13,16,19,22,25]octaazacycloheptacosine-1,4,7,10,13,16,19,22,25-nonaone