(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one

Properties Image MNX_ID MNXM173841 reference chebi:95513 formula C29H39N5O4 global charge 0 mol weight 521.662 InChIKey CUSMSBFNEHNGNQ-SXDGJLEOSA-N InChI InChI=1S/C29H39N5O4/c1-22-17-33(23(2)20-35)29(36)10-7-15-34-25(16-30-31-34)21-37-28(22)19-32(3)18-24-11-13-27(14-12-24)38-26-8-5-4-6-9-26/h4-6,8-9,11-14,16,22-23,28,35H,7,10,15,17-21H2,1-3H3/t22-,23+,28+/m0/s1 SMILES C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)CC2=CC=C(OC3=CC=CC=C3)C=C2)OCC2=CN=NN2CCCC1=O MNX internals InChI (mnx) InChI=1/C29H39N5O4/c1-22-17-33(23(2)20-35)29(36)10-7-15-34-25(16-30-31-34)21-37-28(22)19-32(3)18-24-11-13-27(14-12-24)38-26-8-5-4-6-9-26/h4-6,8-9,11-14,16,22-23,28,35H,7,10,15,17-21H2,1-3H3/t22-,23+,28+/m0/s1 SMILES (mnx) [CH3:1][C@H:22]1[CH2:17][N:33]([C@H:23]([CH3:2])[CH2:20][OH:35])[C:29](=[O:36])[CH2:10][CH2:7][CH2:15][N:34]2[C:25](=[CH:16][N:30]=[N:31]2)[CH2:21][O:37][C@@H:28]1[CH2:19][N:32]([CH3:3])[CH2:18][C:24]1=[CH:12][CH:14]=[C:27]([O:38][C:26]2=[CH:8][CH:5]=[CH:4][CH:6]=[CH:9]2)[CH:13]=[CH:11]1

Parent-child relations graph

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