Bacitracin F

5-[[1-[[3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-butan-2-yl-6-(carboxymethyl)-9-(1H-imidazol-5-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclopentacos-21-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-[[4-methyl-2-[[2-(2-methylbutanoyl)-1,3-thiazole-4-carbonyl]amino]pentanoyl]amino]-5-oxopentanoic acid

Also Known As: Bacitracin F|Bacitracin F (~75per cent)|MSK9178|B021|5-[[1-[[3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-butan-2-yl-6-(carboxymethyl)-9-(1H-imidazol-5-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclopentacos-21-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-[[4-methyl-2-[[2-(2-methylbutanoyl)-1,3-thiazole-4-carbonyl]amino]pentanoyl]amino]-5-oxopentanoic acid|5-[[1-[[3-(2-amino-2-oxo-ethyl)-18-(3-aminopropyl)-12-benzyl-6-(carboxymethyl)-9-(1H-imidazol-5-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-15-sec-butyl-1,4,7,10,13,16,19-heptazacyclopentacos-21-yl]carbamoyl]-2-methyl-butyl]amino]-4-[[4-methyl-2-[[2-(2-methylbutanoyl)thiazole-4-carbonyl]amino]pentanoyl]amino]-5-oxo-pentanoic acid|N-[[2-[(2S)-2-Methyl-1-oxobutyl]-4-thiazolyl]carbonyl]-L-leucyl-D-|A-glutamyl-L-isoleucyl-L-lysyl-D-ornithyl-L-isoleucyl-D-phenylalanyl-L-histidyl-D-|A-aspartyl-L-asparagine (10 inverted exclamation marku4)-Lactam

Molecular Formula	C66H98N16O17S
Molecular Weight	1418.7017 g/mol
LogP	-0.5658
Topological Polar Surface Area	522.45 Ų
Hydrogen Bond Donors	16
Hydrogen Bond Acceptors	19
Rotatable Bonds	31
Exact Mass	1418.7017
Monoisotopic Mass	1418.7017
Heavy Atoms	100
Complexity	3314.92

Chemical Identifiers

CAS Number	22601-63-4
SMILES	CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCCCC(C(=O)NC(C(=O)N1)CCCN)NC(=O)C(C(C)CC)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C2=CSC(=N2)C(=O)C(C)CC)CC(=O)N)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4