Account 2-((3R,6S,9R,12R,17AS)-9-((1H-indol-3-yl)methyl)-3-((S)-sec-butyl)-6-isobutyl-1,4,7,10,13-pentaoxohexadecahydro-1H-pyrrolo[1,2-a][1,4,7,10,13]pentaazacyclopentadecin-12-yl)acetic acid
- Catalog No. :
- ACFBED160
- CAS No. :
- 136553-96-3
- Molecular Formula :
- C32H44N6O7
- Molecular Weight :
- 624.74
IUPAC Name:JKC 301
![2-((3R,6S,9R,12R,17AS)-9-((1H-indol-3-yl)methyl)-3-((S)-sec-butyl)-6-isobutyl-1,4,7,10,13-pentaoxohexadecahydro-1H-pyrrolo[1,2-a][1,4,7,10,13]pentaazacyclopentadecin-12-yl)acetic acid structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 2-((3R,6S,9R,12R,17AS)-9-((1H-indol-3-yl)methyl)-3-((S)-sec-butyl)-6-isobutyl-1,4,7,10,13-pentaoxohexadecahydro-1H-pyrrolo[1,2-a][1,4,7,10,13]pentaazacyclopentadecin-12-yl)acetic acid |
|---|---|
| IUPAC Name | JKC 301 |
| Molecular Formula | C32H44N6O7 |
| Molecular Weight | 624.74 |
| SMILES | O=C(O)C[C@H]1NC([C@@H](CC2=CNC3=C2C=CC=C3)NC([C@H](CC(C)C)NC([C@@H]([C@@H](C)CC)NC([C@@](CCC4)([H])N4C1=O)=O)=O)=O)=O |
| InChI Key | KHRTUHCOJNQEQG-CSXHVWADSA-N |
| Synonym | CYCLO(-D-ASP-PRO-D-ILE-LEU-D-TRP);JKC 301 (CYCLO-[D-ASP-PRO-D-LLE-LEU-D-TR P]), SYNTHETIC, >99% PURITY;JKC-301;Cyclo(D-α-aspartyl-L-prolyl-D-isoleucyl-L-leucyl-D-tryptophyl);JKC-301 Cyclo(-D-Asp-Pro-D-Ile-Leu-D-Trp) |
| CAS No. | 136553-96-3 |
Synthetic Route by SureRoute
2. ACFBED160 Molecular Building Block Synthetic Route
2-((3R,6S,9R,12R,17aS)-9-((1H-Indol-3-yl)methyl)-6-isobutyl-3-isopropyl-1,4,7,10,13-pentaoxohexadecahydro-1H-pyrrolo[1,2-a][1,4,7,10,13]pentaazacyclopentadecin-12-yl)acetic acid
(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
(6S,9S,12S,15S,18S,21S)-15-((1H-indol-3-yl)methyl)-21-((S)-2-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrrolidine-1-carbonyl)-1-((S)-1-(((2S,5S,8S,11S,14S,17S,20S,26S)-26-amino-2,14-bis(3-amino-3-oxopropyl)-20-((S)-sec-butyl)-11-(2-carboxyethyl)-8-(carboxymethyl)-5,17-diisopropyl-4,7,10,13,16,19,22,25-octaoxo-3,6,9,12,15,18,21,24-octaazaheptacosanoyl)-L-prolyl)pyrrolidin-2-yl)-9-(4-aminobutyl)-18-(hydroxymethyl)-6-isobutyl-12-isopropyl-1,4,7,10,13,16,19-heptaoxo-2,5,8,11,14,17,20-heptaazatricosan-23-oic acid