1-[[(8R,9S)-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-(1-naphthalenyl)urea

Properties Image MNX_ID MNXM341928 reference chebi:95972 formula C27H36N6O4 global charge 0 mol weight 508.623 InChIKey XVJRXGRWNAMAGP-UMEGOILYSA-N InChI InChI=1S/C27H36N6O4/c1-19-14-33(20(2)17-34)26(35)12-7-13-32-15-22(29-30-32)18-37-25(19)16-31(3)27(36)28-24-11-6-9-21-8-4-5-10-23(21)24/h4-6,8-11,15,19-20,25,34H,7,12-14,16-18H2,1-3H3,(H,28,36)/t19-,20-,25-/m1/s1 SMILES C[C@@H]1CN([C@H](C)CO)C(=O)CCCN2C=C(CO[C@@H]1CN(C)C(=O)NC1=CC=CC3=CC=CC=C31)N=N2 MNX internals InChI (mnx) InChI=1/C27H36N6O4/c1-19-14-33(20(2)17-34)26(35)12-7-13-32-15-22(29-30-32)18-37-25(19)16-31(3)27(36)28-24-11-6-9-21-8-4-5-10-23(21)24/h4-6,8-11,15,19-20,25,34H,7,12-14,16-18H2,1-3H3,(H,28,36)/t19-,20-,25-/m1/s1 SMILES (mnx) [CH3:1][C@@H:19]1[CH2:14][N:33]([C@H:20]([CH3:2])[CH2:17][OH:34])[C:26](=[O:35])[CH2:12][CH2:7][CH2:13][N:32]2[CH:15]=[C:22]([CH2:18][O:37][C@@H:25]1[CH2:16][N:31]([CH3:3])[C:27](=[N:28][C:24]1=[CH:11][CH:6]=[CH:9][C:21]3=[CH:8][CH:4]=[CH:5][CH:10]=[C:23]31)[OH:36])[N:29]=[N:30]2

Parent-child relations graph

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