Account Apratoxin S4
- Catalog No. :
- ACIAHX486
- CAS No. :
- 1334149-94-8
- Molecular Formula :
- C44H69N5O8S
- Molecular Weight :
- 828.13
IUPAC Name:(3S,5S,7S,8S,12S,17S,20S,23S,28aS,Z)-23-((S)-sec-butyl)-3-(tert-butyl)-7-hydroxy-17-(4-methoxybenzyl)-5,8,19,20,22-pentamethyl-3,4,5,6,7,8,11,12,13,14,16,17,19,20,22,23,26,27,28,28a-icosahydro-1H-9,12-(azeno)pyrrolo[2,1-c][1]oxa[19]thia[4,7,10,13]tetraazacyclohexacosine-1,15,18,21,24-pentaone
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Product Information
| Product Name | Apratoxin S4 |
|---|---|
| IUPAC Name | (3S,5S,7S,8S,12S,17S,20S,23S,28aS,Z)-23-((S)-sec-butyl)-3-(tert-butyl)-7-hydroxy-17-(4-methoxybenzyl)-5,8,19,20,22-pentamethyl-3,4,5,6,7,8,11,12,13,14,16,17,19,20,22,23,26,27,28,28a-icosahydro-1H-9,12-(azeno)pyrrolo[2,1-c][1]oxa[19]thia[4,7,10,13]tetraazacyclohexacosine-1,15,18,21,24-pentaone |
| Molecular Formula | C44H69N5O8S |
| Molecular Weight | 828.13 |
| SMILES | CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)O[C@H](C(C)(C)C)C[C@@H](C)C[C@H](O)[C@H](C)C2=N[C@@H](CCC(=O)N[C@@H](CC3=CC=C(OC)C=C3)C(=O)N(C)[C@@H](C)C(=O)N1C)CS2 |
| InChI Key | SHSVXUUTGUMFAP-UOZKOTSUSA-N |
| Synonym | L-Proline, N-[3-[(4S)-2-[(1S,2S,4S,6S)-2,6-dihydroxy-1,4,7,7-tetramethyloctyl]-4,5-dihydro-4-thiazolyl]-1-oxopropyl]-O-methyl-L-tyrosyl-N-methyl-L-alanyl-N-methyl-L-isoleucyl-, (4→16)-lactone |
| CAS No. | 1334149-94-8 |
Synthetic Route by SureRoute
2. ACIAHX486 Molecular Building Block Synthetic Route
Apratoxin A
(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)-
(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