MOLI000932

Molecular Formula: C33H48N2O14S2Tc


InChI: InChI=1/C33H48N2O14S2.Tc/c1-30-9-22(49-26(40)14-51-12-21(35)29(43)44)27-19(33(30,46)5-3-18(30)16-6-24(38)47-10-16)2-4-31(45)8-17(7-23(37)32(27,31)15-36)48-25(39)13-50-11-20(34)28(41)42;/h6,17-23,27,36-37,45-46H,2-5,7-15,34-35H2,1H3,(H,41,42)(H,43,44);/t17-,18+,19u,20?,21?,22+,23+,27u,30+,31-,32+,33-;/m0./s1/i;1+1/f/h41,43H;

InChIKey: InChIKey=USNQEBBKUIPSHA-FKTKFDBUHK
SMILES: CC12CC(C3C(C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(C(CC(C5)OC(=O)CSCC(C(=O)O)N)O)CO)O)OC(=O)CSCC(C(=O)O)N.[Tc]

Names:
    MOLI000932
    2-amino-3-[[(1R,3S,5S,10S,11R,13R,14S,17S)-11-[2-(2-amino-2-carboxy-ethyl)sulfanylacetyl]oxy-1,5,14-trihydroxy-10-(hydroxymethyl)-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylmethylsulfanyl]propanoic acid; technetium

Registries:
    PubChem CID 450477
    PubChem ID 910