Account 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
- Catalog No. :
- ACHWON548
- CAS No. :
- 136553-81-6
- Molecular Formula :
- C31H42N6O7
- Molecular Weight :
- 610.71
IUPAC Name: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
![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 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)-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 |
|---|---|
| IUPAC Name | 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 |
| Molecular Formula | C31H42N6O7 |
| Molecular Weight | 610.71 |
| SMILES | O=C(N[C@](C(N(CCC1)[C@]1([H])C2=O)=O)([H])CC(O)=O)[C@H](NC([C@@H](NC([C@H](N2)C(C)C)=O)CC(C)C)=O)CC3=CNC4=CC=CC=C34 |
| InChI Key | VYCMAAOURFJIHD-PJNXIOHISA-N |
| Synonym | 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 | cyclo(L-Leu-D-Trp-D-Asp-L-Pro-D-Val) | BDBM50197954 | LS-13503 | B-186 | BQ |
| CAS No. | 136553-81-6 |
| PubChem CID | 443289 |
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. ACHWON548 Molecular Building Block Synthetic Route
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
4-(2-(3-(1H-indol-3-yl)-2-(1-((5-oxopyrrolidine-2-carbonyl)glycyl)pyrrolidine-2-carboxamido)propanamido)-4-methylpentanamido)-5-((1-((1-((1-((1-((1-((1-((4-((1H-indol-3-yl)methyl)-13-carbamoyl-10-(carboxymethyl)-7-isobutyl-2,5,8,11-tetraoxo-14-phenyl-3,6,9,12-tetraazatetradecyl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-1-oxopropan-2-yl)amino)-4-carboxy-1-oxobutan-2-yl)amino)-4-carboxy-1-oxobutan-2-yl)amino)-4-carboxy-1-oxobutan-2-yl)amino)-4-carboxy-1-oxobutan-2-yl)amino)-5-oxopentanoic acid
(3S,6S,9S,15S,20aS)-6-((1H-Indol-3-yl)methyl)-3,15-diisopropyl-9-methyltetradecahydropyrrolo[1,2-a][1,4,7,10,13,16]hexaazacyclooctadecine-1,4,7,10,13,16-hexaone