Account (4R)-N-[(2E,4E,6E,8E,10E)-12-[(2-Hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-1,12-dioxo-2,4,6,8,10-dodecapentaen-1-yl]-L-phenylalanyl-L-seryl-L-prolyl-L-proline, (6→2)-lactone
- Catalog No. :
- ACELJV405
- CAS No. :
- 139601-96-0
- Molecular Formula :
- C47H57N7O11
- Molecular Weight :
- 896.01
IUPAC Name:(2E,4E,6E,8E,10E)-N1-(2-hydroxy-5-oxocyclopent-1-en-1-yl)-N12-((S)-1-oxo-3-phenyl-1-(((2R,6S,9S,11aS,17S,20aS)-2,6,9,10-tetramethyl-5,8,11,16,20-pentaoxohexadecahydro-1H,5H,16H-dipyrrolo[2,1-c:2',1'-l][1]oxa[4,7,10,13]tetraazacyclohexadecin-17-yl)amino)propan-2-yl)dodeca-2,4,6,8,10-pentaenediamide
![(4R)-N-[(2E,4E,6E,8E,10E)-12-[(2-Hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-1,12-dioxo-2,4,6,8,10-dodecapentaen-1-yl]-L-phenylalanyl-L-seryl-L-prolyl-L-proline, (6→2)-lactone structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (4R)-N-[(2E,4E,6E,8E,10E)-12-[(2-Hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-1,12-dioxo-2,4,6,8,10-dodecapentaen-1-yl]-L-phenylalanyl-L-seryl-L-prolyl-L-proline, (6→2)-lactone |
|---|---|
| IUPAC Name | (2E,4E,6E,8E,10E)-N1-(2-hydroxy-5-oxocyclopent-1-en-1-yl)-N12-((S)-1-oxo-3-phenyl-1-(((2R,6S,9S,11aS,17S,20aS)-2,6,9,10-tetramethyl-5,8,11,16,20-pentaoxohexadecahydro-1H,5H,16H-dipyrrolo[2,1-c:2',1'-l][1]oxa[4,7,10,13]tetraazacyclohexadecin-17-yl)amino)propan-2-yl)dodeca-2,4,6,8,10-pentaenediamide |
| Molecular Formula | C47H57N7O11 |
| Molecular Weight | 896.01 |
| SMILES | O=C(/C=C/C=C/C=C/C=C/C=C/C(NC1=C(CCC1=O)O)=O)N[C@H](C(N[C@H](C(N2[C@@H](CCC2)C(N(C)[C@H](C(N[C@@H](C)C(N3[C@H]4C[C@H](C3)C)=O)=O)C)=O)=O)COC4=O)=O)CC5=CC=CC=C5 |
| InChI Key | ODKIYTBYJKALOK-BKZRIAMSSA-N |
| Synonym | N-[[(2E,4E,6E,8E,10E)-12-(2-Hydroxy-5-oxo-1-cyclopentenylamino)-1,12-dioxo-2,4,6,8,10-dodecapentenyl]-L-Phe-]cyclo[L-Ser*-L-Pro-N-methyl-L-Ala-L-Ala-4β-methyl-L-Pro-];enopeptin A;ODKIYTBYJKALOK-BKZRIAMSSA-N |
| CAS No. | 139601-96-0 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Synthetic Route by SureRoute
2. ACELJV405 Molecular Building Block Synthetic Route
(R)-N-((S)-5-Amino-1-(((2R,3S)-1-(((3S,9S,12R,15R,18R,19R,Z)-9-benzyl-15-((S)-sec-butyl)-6-ethylidene-3,12-diisopropyl-19-methyl-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentaazacyclononadecan-18-yl)amino)-3-methyl-1-oxopentan-2-yl)amino)-1-oxopentan-2-yl)-1-((2R,5S,8S,11R,16S)-8-((R)-1-hydroxyethyl)-2,5,11-triisopropyl-16-methyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazaoctadecan-1-oyl)pyrrolidine-2-carboxamide
(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
(R)-1-((3S,6S,9S,12S,18R,21S,22R)-21-acetamido-18-benzyl-3-((R)-1-methoxyethyl)-4,9,10,12,16,22-hexamethyl-15-methylene-2,5,8,11,14,17,20-heptaoxo-1,19-dioxa-4,7,10,13,16-pentaazacyclodocosan-6-yl)-2-methylpropyl (2S,3R)-2-acetamido-3-hydroxy-4-methylpentanoate