diethyl (2S)-2-[[4-[2-(2,4-diamino-3,5,8-triazabicyclo[4.4.0]deca-2,4,7,9,11-pentaen-9-yl)ethyl]benzoyl]amino]pentanedioate

Molecular Formula: C25H30N6O5


InChI: InChI=1/C25H30N6O5/c1-3-35-21(32)12-11-19(24(34)36-4-2)29-23(33)16-8-5-15(6-9-16)7-10-17-13-18-20(14-28-17)30-25(27)31-22(18)26/h5-6,8-9,13-14,19H,3-4,7,10-12H2,1-2H3,(H,29,33)(H4,26,27,30,31)/t19-/m0/s1/f/h29H,26-27H2

InChIKey: InChIKey=OAUYHLODOUABIF-GZIDNBHSDC
SMILES: CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)CCC2=NC=C3C(=C2)C(=NC(=N3)N)N

Names:
    diethyl (2S)-2-[[4-[2-(2,4-diamino-3,5,8-triazabicyclo[4.4.0]deca-2,4,7,9,11-pentaen-9-yl)ethyl]benzoyl]amino]pentanedioate

Registries:
    PubChem CID 10994639
    PubChem ID 16053612