1-[[(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methyl-3-[4-(4-methyl-1-piperazinyl)phenyl]urea

Properties Image MNX_ID MNXM341895 reference chebi:95747 formula C28H44N8O4 global charge 0 mol weight 556.712 InChIKey AFGWKCDRVGDDFW-DRLORSAXSA-N InChI InChI=1S/C28H44N8O4/c1-21-16-36(22(2)19-37)27(38)6-5-11-35-17-24(30-31-35)20-40-26(21)18-33(4)28(39)29-23-7-9-25(10-8-23)34-14-12-32(3)13-15-34/h7-10,17,21-22,26,37H,5-6,11-16,18-20H2,1-4H3,(H,29,39)/t21-,22-,26+/m1/s1 SMILES C[C@@H]1CN([C@H](C)CO)C(=O)CCCN2C=C(CO[C@H]1CN(C)C(=O)NC1=CC=C(N3CCN(C)CC3)C=C1)N=N2 MNX internals InChI (mnx) InChI=1/C28H44N8O4/c1-21-16-36(22(2)19-37)27(38)6-5-11-35-17-24(30-31-35)20-40-26(21)18-33(4)28(39)29-23-7-9-25(10-8-23)34-14-12-32(3)13-15-34/h7-10,17,21-22,26,37H,5-6,11-16,18-20H2,1-4H3,(H,29,39)/t21-,22-,26+/m1/s1 SMILES (mnx) [CH3:1][C@@H:21]1[CH2:16][N:36]([C@H:22]([CH3:2])[CH2:19][OH:37])[C:27](=[O:38])[CH2:6][CH2:5][CH2:11][N:35]2[CH:17]=[C:24]([CH2:20][O:40][C@H:26]1[CH2:18][N:33]([CH3:4])[C:28]([NH:29][C:23]1=[CH:8][CH:10]=[C:25]([N:34]3[CH2:14][CH2:12][N:32]([CH3:3])[CH2:13][CH2:15]3)[CH:9]=[CH:7]1)=[O:39])[N:30]=[N:31]2

Parent-child relations graph

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