NSC54685

Molecular Formula: C26H53N3O6STi


InChI: InChI=1/C10H17N3O6S.4C4H9.Ti/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16;4*1-3-4-2;/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19);4*1,3-4H2,2H3;/q;4*-1;+4/f/h12-13,15,18H;;;;;

InChIKey: InChIKey=KKLUAGJKTZVPKG-RNXZWTRCCF
SMILES: CCC[CH2-].CCC[CH2-].CCC[CH2-].CCC[CH2-].C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N.[Ti+4]

Names:
    NSC54685
    2-amino-4-[[1-(carboxymethylcarbamoyl)-2-sulfanyl-ethyl]carbamoyl]butanoic acid; butane; titanium(+4) cation

Registries:
    PubChem CID 6098208
    PubChem ID 104706