7-(1'-Adamantoyloxy)actinomycin D

Molecular Formula: C73H100N12O18


InChI: InChI=1/C73H100N12O18/c1-32(2)51-68(95)84-21-17-19-44(84)66(93)80(13)30-47(86)82(15)57(34(5)6)70(97)100-38(11)53(64(91)76-51)78-62(89)43-26-46(102-72(99)73-27-40-23-41(28-73)25-42(24-40)29-73)36(9)60-55(43)75-56-49(50(74)59(88)37(10)61(56)103-60)63(90)79-54-39(12)101-71(98)58(35(7)8)83(16)48(87)31-81(14)67(94)45-20-18-22-85(45)69(96)52(33(3)4)77-65(54)92/h26,32-35,38-42,44-45,51-54,57-58H,17-25,27-31,74H2,1-16H3,(H,76,91)(H,77,92)(H,78,89)(H,79,90)/f/h76-79H

InChIKey: InChIKey=OICLHHUVKVCFLM-YVCFMYMKCY
SMILES: CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=CC(=C(C4=C3N=C5C(=C(C(=O)C(=C5O4)C)N)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)C)OC(=O)C89CC1CC(C8)CC(C1)C9

Names:
    Actinomycin D, 7-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)oxy)-
    Actinomycin D, 7-((tricyclo(3.3.1.1(sup3,7))dec-1ylcarbonyl)oxy)-, dihydrate
    7-((Tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)oxy)actinomycin D
    7-(1'-Adamantoyloxy)actinomycin D
    78566-17-3
    [8-amino-4,6-dimethyl-7-oxo-1,9-bis[(7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-dipropan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadec-6-yl)carbamoyl]phenoxazin-3-yl] adamantane-1-carboxylate

Registries:
    PubChem CID 64508
    PubChem ID 206455