Penimocycline

Molecular Formula: C₃₉H₄₃N₅O₁₂S

InChI: InChI=1/C39H43N5O12S/c1-37(2)29(36(53)54)44-34(52)25(35(44)57-37)42-33(51)24(16-10-7-6-8-11-16)40-15-41-32(50)23-28(47)26(43(4)5)19-14-18-22(30(48)39(19,56)31(23)49)27(46)21-17(38(18,3)55)12-9-13-20(21)45/h6-13,18-19,24-26,29,35,40-41,45-46,50,55-56H,14-15H2,1-5H3,(H,42,51)(H,53,54)/b32-23-/t18-,19-,24?,25?,26-,29u,35?,38+,39-/m0/s1/f/h42,53H

InChIKey: InChIKey=QRLXBXSKFXJLSE-DAQWEXRRDX
SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)NCNC(=C4C(=O)C(C5CC6C(=C(C7=C(C6(C)O)C=CC=C7O)O)C(=O)C5(C4=O)O)N(C)C)O)C(=O)O)C

Names:
    EINECS 240-365-5
    Penimociclina [INN-Spanish]
    Penimocycline [DCF:INN]
    Penimocycline
    Penimocyclinum [INN-Latin]
    16259-34-0
    6-(((((((4-(Dimethylamino)-1,4alpha,4aalpha,5,5aalpha,6beta,11,12aalpha-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenyl)carbonyl)amino)methyl)amino)phenylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
    6-(2-(((4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamido)methyl)amino)-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
    6-[[2-[[[(Z)-[(4S,4aS,5aS,6S,12aS)-4-dimethylamino-6,10,11,12a-tetrahydroxy-6-methyl-1,3,12-trioxo-4,4a,5,5a-tetrahydrotetracen-2-ylidene]-hydroxy-methyl]amino]methylamino]-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Registries:
    PubChem CID 5464331
    PubChem ID 214156