bacitracin
PubChem Notes:
Bacitracin A complex of cyclic peptide antibiotics produced by the Tracy-I strain of Bacillus subtilis. The commercial preparation is a mixture of at least nine bacitracins with bacitracin A as the major constituent. It is used topically to treat open infections such as infected eczema and infected dermal ulcers. (From Goodman and Gilman, The Pharmacological Basis of Therapeutics, 8th ed, p1140)
MediLexicon bacitracin - Medical Dictionary Definition for Term 'bacitracin'
[1. An antibacterial antibiotic polypeptide of known chemical structure isolated from cultures of an aerobic, gram-positive, spore-bearing bacillus (member of the Bacillus subtilis group); active against hemolytic streptococci, staphylococci, and several types of gram-positive, aerobic, rod-shaped organisms; usually applied locally. Zinc bacitracin is also available.
Molecular Formula:
C66H103N17O16S
InChI: InChI=1/C66H103N17O16S/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)58(92)75-42(22-23-50(85)86)57(91)82-53(36(7)10-2)64(98)71-25-16-15-20-40-55(89)73-41(21-17-24-67)56(90)83-54(37(8)11-3)65(99)80-44(27-38-18-13-12-14-19-38)59(93)77-45(28-39-31-70-33-72-39)60(94)79-47(30-51(87)88)62(96)78-46(29-49(68)84)61(95)74-40/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,72)(H,71,98)(H,73,89)(H,74,95)(H,75,92)(H,76,97)(H,77,93)(H,78,96)(H,79,94)(H,80,99)(H,82,91)(H,83,90)(H,85,86)(H,87,88)/f/h71-80,82-83,85,87H,68H2
InChIKey: InChIKey=VRKHYMXTJQCIND-GKZKVMOPCU
SMILES: CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCN)CCCCNC(=O)C(C(C)CC)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C2CSC(=N2)C(C(C)CC)N)CC(=O)N)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4
Names:
bacitracin
4-[[2-[[2-(1-amino-2-methyl-butyl)4,5-dihydro-1,3-thiazole-4-carbonyl]amino]-4-methyl-pentanoyl]amino]-4-[[1-[4-[5-(3-aminopropyl)-11-benzyl-8-butan-2-yl-20-(carbamoylmethyl)-17-(carboxymethyl)-14-(3H-imidazol-4-ylmethyl)-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptazacyclohenicos-2-yl]butylcarbamoyl]-2-methyl-butyl]carbamoyl]butanoic acid
Registries:
PubChem CID 2283
PubChem ID 8149211
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