methyl (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-3-(3H-imidazol-4-yl)propanoate

Molecular Formula: C23H20F3N9O5


InChI: InChI=1/C23H20F3N9O5/c1-40-20(38)15(6-12-7-28-10-30-12)32-18(36)11-2-4-14(5-3-11)35(21(39)23(24,25)26)9-13-8-29-17-16(31-13)19(37)34-22(27)33-17/h2-5,7-8,10,15H,6,9H2,1H3,(H,28,30)(H,32,36)(H3,27,29,33,34,37)/t15-/m0/s1/f/h30,32-33H,27H2

InChIKey: InChIKey=CVIBAZKMEFYADK-YCHFCRRKDP
SMILES: COC(=O)C(CC1=CN=CN1)NC(=O)C2=CC=C(C=C2)N(CC3=CN=C4C(=N3)C(=O)N=C(N4)N)C(=O)C(F)(F)F

Names:
    methyl (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-3-(3H-imidazol-4-yl)propanoate

Registries:
    PubChem CID 10650489
    PubChem ID 15682083