Account Micropeptin 478B
- Catalog No. :
- ACIAZP125
- CAS No. :
- 186368-51-4
- Molecular Formula :
- C40H62ClN9O18S2
- Molecular Weight :
- 1056.57
IUPAC Name:(2R)-3-(((2S,5S,8S,11R,12S,15S,18S,21R)-2,8-di((S)-sec-butyl)-5-(3-chloro-4-hydroxybenzyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-oxopropane-1,2-diyl bis(hydrogen sulfate)
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Product Information
| Product Name | Micropeptin 478B |
|---|---|
| IUPAC Name | (2R)-3-(((2S,5S,8S,11R,12S,15S,18S,21R)-2,8-di((S)-sec-butyl)-5-(3-chloro-4-hydroxybenzyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-oxopropane-1,2-diyl bis(hydrogen sulfate) |
| Molecular Formula | C40H62ClN9O18S2 |
| Molecular Weight | 1056.57 |
| SMILES | O=C(N[C@H](C(N[C@H]1CCCNC(N)=N)=O)[C@@H](C)OC([C@H]([C@@H](C)CC)NC([C@H](CC2=CC=C(O)C(Cl)=C2)N(C)C([C@H]([C@@H](C)CC)N(C3=O)[C@H](O)CC[C@]3([H])NC1=O)=O)=O)=O)[C@H](OS(=O)(O)=O)COS(=O)(O)=O |
| InChI Key | SBCCONGDAHGETE-HWXQPLKUSA-N |
| Synonym | L-Isoleucine, N-[(2S)-1-oxo-2,3-bis(sulfooxy)propyl]-L-threonyl-L-arginyl-(αS,3S,6R)-3-amino-6-hydroxy-α-[(1S)-1-methylpropyl]-2-oxo-1-piperidineacetyl-3-chloro-N-methyl-L-tyrosyl-, (6→2)-lactone;Micropeptin 478B |
| CAS No. | 186368-51-4 |
Synthetic Route by SureRoute
2. ACIAZP125 Molecular Building Block Synthetic Route
Micropeptin 478A
(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
Didemnin C