Account (R)-5-(((2S,3S)-1-(((3S,6R,9S,12R,15S,18R,21S)-9-((1H-imidazol-5-yl)methyl)-3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-6-(carboxymethyl)-15-isopropyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclopentacosan-21-yl)amino)-3-methyl-1-oxopentan-2-yl)amino)-4-((S)-2-((R)-2-((1S,2S)-1-amino-2-methylbutyl)-4,5-dihydrothiazole-4-carboxamido)-4-methylpentanamido)-5-oxopentanoic acid
- Catalog No. :
- ACYAYJ689
- CAS No. :
- 57762-79-5
- Molecular Formula :
- C65H101N17O16S
- Molecular Weight :
- 1408.69
IUPAC Name:(R)-5-(((2S,3S)-1-(((3S,6R,9S,12R,15S,18R,21S)-9-((1H-imidazol-5-yl)methyl)-3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-6-(carboxymethyl)-15-isopropyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclopentacosan-21-yl)amino)-3-methyl-1-oxopentan-2-yl)amino)-4-((S)-2-((R)-2-((1S,2S)-1-amino-2-methylbutyl)-4,5-dihydrothiazole-4-carboxamido)-4-methylpentanamido)-5-oxopentanoic acid
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Product Information
| Product Name | (R)-5-(((2S,3S)-1-(((3S,6R,9S,12R,15S,18R,21S)-9-((1H-imidazol-5-yl)methyl)-3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-6-(carboxymethyl)-15-isopropyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclopentacosan-21-yl)amino)-3-methyl-1-oxopentan-2-yl)amino)-4-((S)-2-((R)-2-((1S,2S)-1-amino-2-methylbutyl)-4,5-dihydrothiazole-4-carboxamido)-4-methylpentanamido)-5-oxopentanoic acid |
|---|---|
| IUPAC Name | (R)-5-(((2S,3S)-1-(((3S,6R,9S,12R,15S,18R,21S)-9-((1H-imidazol-5-yl)methyl)-3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-6-(carboxymethyl)-15-isopropyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclopentacosan-21-yl)amino)-3-methyl-1-oxopentan-2-yl)amino)-4-((S)-2-((R)-2-((1S,2S)-1-amino-2-methylbutyl)-4,5-dihydrothiazole-4-carboxamido)-4-methylpentanamido)-5-oxopentanoic acid |
| Molecular Formula | C65H101N17O16S |
| Molecular Weight | 1408.69 |
| SMILES | CC[C@H](C)[C@H](N)C1=N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H]2CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CCCN)NC2=O)[C@@H](C)CC)CS1 |
| InChI Key | CDTJNKFURPZXMS-QTFUODODSA-N |
| Synonym | Bacitracin B1;Bacitracin B1a;Bacitracin B1a (Siegel et al.);Bacitracin B2 (Ikai et al.);Bacitracin B1, EvoPure;Bacitracin B2 Tritrifluoroacetate |
| CAS No. | 57762-79-5 |
Synthetic Route by SureRoute
2. ACYAYJ689 Molecular Building Block Synthetic Route
5-((1-((9-((4H-imidazol-4-yl)methyl)-3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-(sec-butyl)-6-(carboxymethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclopentacosan-21-yl)amino)-3-methyl-1-oxopentan-2-yl)amino)-4-(2-(2-(1-amino-2-methylbutyl)-4,5-dihydrothiazole-4-carboxamido)-4-methylpentanamido)-5-oxopentanoic acid, zinc salt
Bacitracin
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