1-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea

Properties Image MNX_ID MNXM341976 reference chebi:96756 formula C27H36N6O4 global charge 0 mol weight 508.623 InChIKey BDQCUWSGKZTQJJ-DFIYOIEZSA-N InChI InChI=1S/C27H36N6O4/c1-19-15-32(20(2)17-34)26(35)12-7-13-33-22(14-28-30-33)18-37-25(19)16-31(3)27(36)29-24-11-6-9-21-8-4-5-10-23(21)24/h4-6,8-11,14,19-20,25,34H,7,12-13,15-18H2,1-3H3,(H,29,36)/t19-,20+,25-/m0/s1 SMILES C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)NC2=CC=CC3=CC=CC=C32)OCC2=CN=NN2CCCC1=O MNX internals InChI (mnx) InChI=1/C27H36N6O4/c1-19-15-32(20(2)17-34)26(35)12-7-13-33-22(14-28-30-33)18-37-25(19)16-31(3)27(36)29-24-11-6-9-21-8-4-5-10-23(21)24/h4-6,8-11,14,19-20,25,34H,7,12-13,15-18H2,1-3H3,(H,29,36)/t19-,20+,25-/m0/s1 SMILES (mnx) [CH3:1][C@H:19]1[CH2:15][N:32]([C@H:20]([CH3:2])[CH2:17][OH:34])[C:26](=[O:35])[CH2:12][CH2:7][CH2:13][N:33]2[C:22](=[CH:14][N:28]=[N:30]2)[CH2:18][O:37][C@H:25]1[CH2:16][N:31]([CH3:3])[C:27](=[N:29][C:24]1=[CH:11][CH:6]=[CH:9][C:21]2=[CH:8][CH:4]=[CH:5][CH:10]=[C:23]21)[OH:36]

Parent-child relations graph

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