MOLI000946

Molecular Formula: C₃₀H₄₉N₁₀O₁₇TcY^-

InChI: InChI=1/C30H47N10O15.H2O.O.Tc.Y/c1-16(41)8-34-22(44)13-37-28(53)19(2-5-25(47)48)32-9-17(42)11-35-23(45)14-38-29(54)20(3-6-26(49)50)33-10-18(43)12-36-24(46)15-39-30(55)21(40-31)4-7-27(51)52;;;;/h19-21,32-33,40H,1-15,31H2,(H,34,44)(H,35,45)(H,36,46)(H,37,53)(H,38,54)(H,39,55)(H,47,48)(H,49,50)(H,51,52);1H2;;;/q-1;;;;/t19-,20-,21-;;;;/m0..../s1/i;;;1+1;/f/h34-39,47,49,51H;;;;/rC30H47N10O15.OTc.H2O.Y/c1-16(41)8-34-22(44)13-37-28(53)19(2-5-25(47)48)32-9-17(42)11-35-23(45)14-38-29(54)20(3-6-26(49)50)33-10-18(43)12-36-24(46)15-39-30(55)21(40-31)4-7-27(51)52;1-2;;/h19-21,32-33,40H,1-15,31H2,(H,34,44)(H,35,45)(H,36,46)(H,37,53)(H,38,54)(H,39,55)(H,47,48)(H,49,50)(H,51,52);;1H2;/q-1;;;/t19-,20-,21-;;;/m0.../s1/i;2+1;;/f/h34-39,47,49,51H;;;

InChIKey: InChIKey=QOGJQSLHTYBKQP-DTQDLWKHHX
SMILES: [CH2-]C(=O)CNC(=O)CNC(=O)C(CCC(=O)O)NCC(=O)CNC(=O)CNC(=O)C(CCC(=O)O)NCC(=O)CNC(=O)CNC(=O)C(CCC(=O)O)NN.O.O=[Tc].[Y]

Names:
    MOLI000946
    (4S)-4-[[3-[[2-[[(2S)-4-carboxy-2-hydrazinyl-butanoyl]amino]acetyl]amino]-2-oxo-propyl]amino]-4-[[3-[[(1S)-3-carboxy-1-(2-oxopropylcarbamoylmethylcarbamoyl)propyl]amino]-2-oxo-propyl]carbamoylmethylcarbamoyl]butanoic acid; oxotechnetium; yttrium; hydrate

Registries:
    PubChem CID 5462089
    PubChem ID 924