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