Oxidized Cypridina luciferin

Molecular Formula: C21H27N7O


InChI: InChI=1/C21H27N7O/c1-3-13(2)20(29)28-19-17(9-6-10-24-21(22)23)27-18(12-26-19)15-11-25-16-8-5-4-7-14(15)16/h4-5,7-8,11-13,25H,3,6,9-10H2,1-2H3,(H4,22,23,24)(H,26,28,29)/t13-/m0/s1/f/h28H,22-23H2

InChIKey: InChIKey=PSYJEEMZZIZTSR-DBCNGDRCDM
SMILES: CCC(C)C(=O)NC1=NC=C(N=C1CCCN=C(N)N)C2=CNC3=CC=CC=C32

Names:
    C03887
    Oxidized Cypridina luciferin
    (2S)-N-[3-[3-(diaminomethylideneamino)propyl]-5-(1H-indol-3-yl)pyrazin-2-yl]-2-methyl-butanamide

Registries:
    PubChem CID 11953827
    PubChem ID 6620