1-[[(8S,9S)-6-[(2S)-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]-3-(4-methoxyphenyl)-1-methylurea

Properties Image MNX_ID MNXM342031 reference chebi:96830 formula C24H36N6O5 global charge 0 mol weight 488.589 InChIKey OFOUXQSPHPQRAF-NPPFBWRTSA-N InChI InChI=1S/C24H36N6O5/c1-17-12-30(18(2)15-31)23(32)6-5-11-29-13-20(26-27-29)16-35-22(17)14-28(3)24(33)25-19-7-9-21(34-4)10-8-19/h7-10,13,17-18,22,31H,5-6,11-12,14-16H2,1-4H3,(H,25,33)/t17-,18-,22+/m0/s1 SMILES COC1=CC=C(NC(=O)N(C)C[C@H]2OCC3=CN(CCCC(=O)N([C@@H](C)CO)C[C@@H]2C)N=N3)C=C1 MNX internals InChI (mnx) InChI=1/C24H36N6O5/c1-17-12-30(18(2)15-31)23(32)6-5-11-29-13-20(26-27-29)16-35-22(17)14-28(3)24(33)25-19-7-9-21(34-4)10-8-19/h7-10,13,17-18,22,31H,5-6,11-12,14-16H2,1-4H3,(H,25,33)/t17-,18-,22+/m0/s1 SMILES (mnx) [CH3:1][C@H:17]1[CH2:12][N:30]([C@@H:18]([CH3:2])[CH2:15][OH:31])[C:23](=[O:32])[CH2:6][CH2:5][CH2:11][N:29]2[CH:13]=[C:20]([CH2:16][O:35][C@@H:22]1[CH2:14][N:28]([CH3:3])[C:24]([NH:25][C:19]1=[CH:8][CH:10]=[C:21]([O:34][CH3:4])[CH:9]=[CH:7]1)=[O:33])[N:26]=[N:27]2

Parent-child relations graph

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