Account tert-Butyl ((2R,6S,13aS,14aR,16aS,Z)-14a-((cyclopropylsulfonyl)carbamoyl)-2-hydroxy-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl)carbamate
- Catalog No. :
- ACOIYT713
- CAS No. :
- 790305-05-4
- Molecular Formula :
- C26H40N4O8S
- Molecular Weight :
- 568.69
IUPAC Name:tert-butyl ((2R,6S,13aS,14aR,16aS,Z)-14a-((cyclopropylsulfonyl)carbamoyl)-2-hydroxy-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl)carbamate
![tert-Butyl ((2R,6S,13aS,14aR,16aS,Z)-14a-((cyclopropylsulfonyl)carbamoyl)-2-hydroxy-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl)carbamate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | tert-Butyl ((2R,6S,13aS,14aR,16aS,Z)-14a-((cyclopropylsulfonyl)carbamoyl)-2-hydroxy-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl)carbamate |
|---|---|
| IUPAC Name | tert-butyl ((2R,6S,13aS,14aR,16aS,Z)-14a-((cyclopropylsulfonyl)carbamoyl)-2-hydroxy-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl)carbamate |
| MDL No. | MFCD30475783 |
| Molecular Formula | C26H40N4O8S |
| Molecular Weight | 568.69 |
| SMILES | O=C(OC(C)(C)C)N[C@H]1CCCCC/C=C\[C@@]2([H])[C@](C2)(C(NS(=O)(C3CC3)=O)=O)NC([C@@](C[C@@H](O)C4)([H])N4C1=O)=O |
| InChI Key | MXGKXZHTCMUVEE-JXUUZEIMSA-N |
| Synonym | ITMN 4077;t - butyl (2R,6S,13aS,14aR,16aS,Z) - 14a - (cyclopropylsulfonylcarbamoyl) - 2 - hydroxy - 5,16 - dioxo - 1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a - hexadecahydrocyclopropa[e]pyrrolo[1,2 - a][1,4]diazacyclopentadecin - 6 - ylcarbamate;Carbamic acid, N-[(2R,6S,12Z,13aS,14aR,16aS)-14a-[[(cyclopropylsulfonyl)amino]carbonyl]-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydro-2-hydroxy-5,16-dioxocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]-, 1,1-dimethylethyl ester;ITMN-4077,ITMN4077;ITMN4077, 10 mM in DMSO |
| CAS No. | 790305-05-4 |
| PubChem CID | 58798563 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACOIYT713 Molecular Building Block Synthetic Route
tert-Butyl ((S)-1-((2S,4R)-2-(((1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylcyclopropyl)carbamoyl)-4-((6-methoxyisoquinolin-1-yl)oxy)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)carbamate
(2R,6S,13aS,14aR,16aS,Z)-6-((tert-Butoxycarbonyl)amino)-14a-((cyclopropylsulfonyl)carbamoyl)-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoroisoindoline-2-carboxylate
(2R,6S,13aS,14aR,16aS,Z)-6-((tert-Butoxycarbonyl)amino)-14a-((cyclopropylsulfonyl)carbamoyl)-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoroisoindoline-2-carboxylate, sodium salt