Fortracin

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)59(93)74-42(22-23-50(85)86)58(92)83-53(36(7)10-2)64(98)75-40-20-15-16-25-71-55(89)46(29-49(68)84)78-62(96)47(30-51(87)88)79-61(95)45(28-39-31-70-33-72-39)77-60(94)44(27-38-18-13-12-14-19-38)80-65(99)54(37(8)11-3)82-57(91)41(21-17-24-67)73-56(40)90/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,71,89)(H,73,90)(H,74,93)(H,75,98)(H,76,97)(H,77,94)(H,78,96)(H,79,95)(H,80,99)(H,82,91)(H,83,92)(H,85,86)(H,87,88)/f/h71-80,82-83,85,87H,68H2

InChIKey: InChIKey=CLKOFPXJLQSYAH-GKZKVMOPCJ
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)C2CSC(=N2)C(C(C)CC)N)CC(=O)N)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4

Names:
    Baciguent
    Bacitracin A2a
    Bacitracin A
    Bacitracin F, 1-(N-((2-(1-amino-2-methylbutyl)-4,5-dihydro-4-thiazolyl)carbonyl)-L-leucine)-
    EINECS 245-115-9
    Fortracin
    NSC 45737
    Solu-Tracin 50
    22601-59-8
    4-[[2-[[2-(1-amino-2-methyl-butyl)4,5-dihydro-1,3-thiazole-4-carbonyl]amino]-4-methyl-pentanoyl]amino]-4-[[1-[[18-(3-aminopropyl)-12-benzyl-15-butan-2-yl-3-(carbamoylmethyl)-6-(carboxymethyl)-9-(3H-imidazol-4-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclopentacos-21-yl]carbamoyl]-2-methyl-butyl]carbamoyl]butanoic acid

Registries:
    PubChem CID 65281
    PubChem ID 207253