dipropan-2-yl (2S,4R)-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]-3-fluoranyl-phenyl]carbonylamino]-4-fluoranyl-pentanedioate

Systemtic Name: dipropan-2-yl (2S,4R)-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]-3-fluoranyl-phenyl]carbonylamino]-4-fluoranyl-pentanedioate Openeye Name: diisopropyl (2S,4R)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]-3-fluoro-benzoyl]amino]-4-fluoro-pentanedioate CAS Name: (2S,4R)-2-[[[4-[(2,4-diamino-6-pteridinyl)methylamino]-3-fluorophenyl]-oxomethyl]amino]-4-fluoropentanedioic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl (2S,4R)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]-3-fluorobenzoyl]amino]-4-fluoropentanedioate Traditional Name: (2S,4R)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]-3-fluoro-benzoyl]amino]-4-fluoro-glutaric acid diisopropyl ester Formula: C25H30F2N8O5 MolecularWeight: 560.553106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CC(C(=O)OC(C)C)F)NC(=O)C1=CC(=C(C=C1)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N)F

Isomeric SMILES

CC(C)OC(=O)[C@H](C[C@H](C(=O)OC(C)C)F)NC(=O)C1=CC(=C(C=C1)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N)F

InChI

InChI=1S/C25H30F2N8O5/c1-11(2)39-23(37)16(27)8-18(24(38)40-12(3)4)33-22(36)13-5-6-17(15(26)7-13)30-9-14-10-31-21-19(32-14)20(28)34-25(29)35-21/h5-7,10-12,16,18,30H,8-9H2,1-4H3,(H,33,36)(H4,28,29,31,34,35)/t16-,18+/m1/s1