sodium; (2S)-2-amino-4-carbamoyl-butanoic acid; 3,8-dimethyl-5-propan-2-yl-azulene-1-sulfonate

Molecular Formula: C20H27N2NaO6S


InChI: InChI=1/C15H18O3S.C5H10N2O3.Na/c1-9(2)12-6-5-10(3)15-13(8-12)11(4)7-14(15)19(16,17)18;6-3(5(9)10)1-2-4(7)8;/h5-9H,1-4H3,(H,16,17,18);3H,1-2,6H2,(H2,7,8)(H,9,10);/q;;+1/p-1/t;3-;/m.0./s1/fC15H17O3S.C5H10N2O3.Na/h;9H,7H2;/q-1;;m

InChIKey: InChIKey=FPKFWYUHWUOPGP-WBNMIXAGDV
SMILES: CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)S(=O)(=O)[O-].C(CC(=O)N)C(C(=O)O)N.[Na+]

Names:
    sodium; (2S)-2-amino-4-carbamoyl-butanoic acid; 3,8-dimethyl-5-propan-2-yl-azulene-1-sulfonate

Registries:
    PubChem CID 156911
    PubChem ID 10253011