Account MC-Val-Cit-PAB-Retapamulin
- Catalog No. :
- ACTFDT239
- CAS No. :
- 1639793-15-9
- Molecular Formula :
- C58H86N7O10S+
- Molecular Weight :
- 1073.43
IUPAC Name:(1R,3R,5S,8S)-8-(4-((S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl)-3-((2-(((3aR,4R,5R,7S,8S,9R,9aS,12R)-8-hydroxy-4,7,9,12-tetramethyl-3-oxo-7-vinyldecahydro-4,9a-propanocyclopenta[8]annulen-5-yl)oxy)-2-oxoethyl)thio)-8-methyl-8-azabicyclo[3.2.1]octan-8-ium
Pack SizePurityList PriceYour PriceGlobal StockUS StockQuantity
1mg98%$158.00Login to see priceInquiryInquiry
5mg98%$395.00Login to see priceInquiryInquiry
10mg98%$630.00Login to see priceInquiryInquiry
Products of AiFChem are all designed for scientific research only. Under no circumstances do we provide products or services for animal or personal utilization.
0 Reviews:View Reviews
Product Information
| Product Name | MC-Val-Cit-PAB-Retapamulin |
|---|---|
| IUPAC Name | (1R,3R,5S,8S)-8-(4-((S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl)-3-((2-(((3aR,4R,5R,7S,8S,9R,9aS,12R)-8-hydroxy-4,7,9,12-tetramethyl-3-oxo-7-vinyldecahydro-4,9a-propanocyclopenta[8]annulen-5-yl)oxy)-2-oxoethyl)thio)-8-methyl-8-azabicyclo[3.2.1]octan-8-ium |
| Molecular Formula | C58H86N7O10S+ |
| Molecular Weight | 1073.43 |
| SMILES | C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2C[C@H]3CC[C@@H](C2)[N@+]3(C)CC2=CC=C(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN3C(=O)C=CC3=O)C(C)C)C=C2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O |
| InChI Key | JYMCVUUKLDZABV-PFKCCLIMSA-O |
| Synonym | MC-Val-Cit-PAB-Retapamulin |
| CAS No. | 1639793-15-9 |
Synthetic Route by SureRoute
2. ACTFDT239 Molecular Building Block Synthetic Route
MC-Val-Cit-PAB-clindamycin
4-((4S,7S,10S,13S)-10-Benzyl-7-isobutyl-15-methyl-13-((R)-2-methyloxirane-2-carbonyl)-2,5,8,11-tetraoxo-4-phenethyl-3,6,9,12-tetraazahexadecyl)-4-(4-((S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl)morpholin-4-ium
(S)-N-(4-((S)-2-((S)-2-(6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl)-1-(((S)-1-(((3R,4S,5S)-1-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl)(methyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-N,N,3-trimethyl-1-oxobutan-2-aminium