(8aS)-7-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-1,2,3,5,6,8a-hexahydroindolizine; (2S)-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: (8aS)-7-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-1,2,3,5,6,8a-hexahydroindolizine; (2S)-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: (8aS)-7-[5-(4-fluorophenyl)-4-(4-pyridyl)-1H-pyrrol-3-yl]-1,2,3,5,6,8a-hexahydroindolizine; (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid CAS Name: (8aS)-7-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-1,2,3,5,6,8a-hexahydroindolizine; (2S)-2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (8aS)-7-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-1,2,3,5,6,8a-hexahydroindolizine; (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid Traditional Name: (8aS)-7-[5-(4-fluorophenyl)-4-(4-pyridyl)-1H-pyrrol-3-yl]-1,2,3,5,6,8a-hexahydroindolizine; (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]glutaric acid Formula: C43H44FN11O5 MolecularWeight: 813.878563

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O.C1CC2C=C(CCN2C1)C3=CNC(=C3C4=CC=NC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O.C1C[C@H]2C=C(CCN2C1)C3=CNC(=C3C4=CC=NC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C23H22FN3.C20H22N8O5/c24-19-5-3-17(4-6-19)23-22(16-7-10-25-11-8-16)21(15-26-23)18-9-13-27-12-1-2-20(27)14-18;1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h3-8,10-11,14-15,20,26H,1-2,9,12-13H2;2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t20-;13-/m00/s1