Account (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
- Catalog No. :
- ACNBPP064
- CAS No. :
- 77327-05-0
- Molecular Formula :
- C57H89N7O15
- Molecular Weight :
- 1112.37
IUPAC Name:(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)-4-methyl-1-oxopentan-2-yl)-1-((S)-2-hydroxypropanoyl)-N-methylpyrrolidine-2-carboxamide structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (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 |
|---|---|
| IUPAC Name | (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 |
| MDL No. | MFCD01677226 |
| Molecular Formula | C57H89N7O15 |
| Molecular Weight | 1112.37 |
| SMILES | CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C)O)[C@@H](C)OC(=O)[C@H](CC2=CC=C(OC)C=C2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@H](C(C)C)OC(=O)C[C@@H]1O |
| InChI Key | KYHUYMLIVQFXRI-SJPGYWQQSA-N |
| Synonym | SCHEMBL1346816 | (2S)-N-[(1R)-1-[[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-12-hydroxy-3-isobutyl-8-isopropyl-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-13-[(1S)-1-methylpropyl]-2,5,7,10,15,19,22-heptaoxo-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan- |
| CAS No. | 77327-05-0 |
| PubChem CID | 122651 |
Synthetic Route by SureRoute
2. ACNBPP064 Molecular Building Block Synthetic Route
Didemnin C
(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