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IUPAC Name: (4R)-5-[[(2S)-1-[[(3S,6R,9S,12R,15S,18R,21S)-3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-6-(carboxymethyl)-9-(1H-imidazol-5-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-15-propan-2-yl-1,4,7,10,13,16,19-heptazacyclopentacos-21-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-[[(2S)-4-methyl-2-[[2-[(2S)-2-methylbutanoyl]-1,3-thiazole-4-carbonyl]amino]pentanoyl]amino]-5-oxopentanoic acid | CAS Registry Number: 144572-52-1Synonyms: Bacitracin I3, 2PP2YL2SRM, Bacitracin F, 1-(N-((2-(2-methyl-1-oxobutyl)-4-thiazolyl)carbonyl)-L-leucine)-3-L-valine-6-L-valine-, (S)-, UNII-2PP2YL2SRM, Bacitracin impurity K [EP], BACITRACIN IMPURITY K [EP IMPURITY], 4,10-ANHYDRO(N-((2-((2S)-2-METHYL-1-OXOBUTYL)-1,3-THIAZOL-4-YL)CARBONYL)-L-LEUCYL-D-.ALPHA.-GLUTAMYL-L-VALYL-L-LYSYL-D-ORNITHYL-L-VALYL-D-PHENYLALANYL-L-HISTIDYL-D-.ALPHA.-ASPARTYL-L-ASPARAGINE), 4,10-Anhydro(N-((2-((2S)-2-methyl-1-oxobutyl)-1,3-thiazol-4-yl)carbonyl)-L-leucyl-D-alpha-glutamyl-L-valyl-L-lysyl-D-ornithyl-L-valyl-D-phenylalanyl-L-histidyl-D-alpha-aspartyl-L-asparagine), L-ASPARAGINE, N-((2-((2S)-2-METHYL-1-OXOBUTYL)-4-THIAZOLYL)CARBONYL)-L-LEUCYL-D-.ALPHA.-GLUTAMYL-L-VALYL-L-LYSYL-D-ORNITHYL-L-VALYL-D-PHENYLALANYL-L-HISTIDYL-D-.ALPHA.-ASPARTYL-, (10->4)-LACTAM, L-Asparagine, N-((2-((2S)-2-methyl-1-oxobutyl)-4-thiazolyl)carbonyl)-L-leucyl-D-alpha-glutamyl-L-valyl-L-lysyl-D-ornithyl-L-valyl-D-phenylalanyl-L-histidyl-D-alpha-aspartyl-, (10->4)-lactam
| Molecular Formula: | C64H94N16O17S | Molecular Weight: | 1391.600 [g/mol] |
| H-Bond Donor: | 16 | H-Bond Acceptor: | 21 |
InChIKey: AHKHMFSVKMJIMK-VQKFMQNUSA-N
