15,15-dimethyl-2-epi-fumiquinazoline A

Properties Image MNX_ID MNXM147689 reference metacycM:CPD-17884 formula C25H25N5O4 global charge 0 mol weight 459.506 InChIKey SFAUEGNHSUJWPX-VVUIHYNVSA-N InChI InChI=1S/C25H25N5O4/c1-13-19-27-16-10-6-4-8-14(16)21(32)29(19)18(20(31)26-13)12-25(34)15-9-5-7-11-17(15)30-22(25)28-24(2,3)23(30)33/h4-11,13,18,22,28,34H,12H2,1-3H3,(H,26,31)/t13-,18+,22+,25-/m0/s1 SMILES C[C@@H]1NC(=O)[C@@H](C[C@]2(O)C3=CC=CC=C3N3C(=O)C(C)(C)N[C@H]32)N2C(=O)C3=CC=CC=C3N=C12 MNX internals InChI (mnx) InChI=1/C25H25N5O4/c1-13-19-27-16-10-6-4-8-14(16)21(32)29(19)18(20(31)26-13)12-25(34)15-9-5-7-11-17(15)30-22(25)28-24(2,3)23(30)33/h4-11,13,18,22,28,34H,12H2,1-3H3,(H,26,31)/t13-,18+,22+,25-/m0/s1 SMILES (mnx) [CH3:1][C@H:13]1[C:19]2=[N:27][C:16]3=[CH:10][CH:6]=[CH:4][CH:8]=[C:14]3[C:21](=[O:32])[N:29]2[C@H:18]([CH2:12][C@:25]2([OH:34])[C:15]3=[CH:9][CH:5]=[CH:7][CH:11]=[C:17]3[N:30]3[C@H:22]2[NH:28][C:24]([CH3:2])([CH3:3])[C:23]3=[O:33])[C:20]([OH:31])=[N:26]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0