1-[(4S,7S,8S)-5-(2-cyclopropyl-1-oxoethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea

Properties Image MNX_ID MNXM340498 reference chebi:99416 formula C29H38N4O5 global charge 0 mol weight 522.646 InChIKey ZWMNFEZEGHFZOH-CUVVAGTFSA-N InChI InChI=1S/C29H38N4O5/c1-19-16-33(27(34)14-21-10-11-21)20(2)18-38-25-13-12-23(31-29(36)30-22-8-6-5-7-9-22)15-24(25)28(35)32(3)17-26(19)37-4/h5-9,12-13,15,19-21,26H,10-11,14,16-18H2,1-4H3,(H2,30,31,36)/t19-,20-,26+/m0/s1 SMILES CO[C@@H]1CN(C)C(=O)C2=C(C=CC(NC(=O)NC3=CC=CC=C3)=C2)OC[C@H](C)N(C(=O)CC2CC2)C[C@@H]1C MNX internals InChI (mnx) InChI=1/C29H38N4O5/c1-19-16-33(27(34)14-21-10-11-21)20(2)18-38-25-13-12-23(31-29(36)30-22-8-6-5-7-9-22)15-24(25)28(35)32(3)17-26(19)37-4/h5-9,12-13,15,19-21,26H,10-11,14,16-18H2,1-4H3,(H2,30,31,36)/t19-,20-,26+/m0/s1 SMILES (mnx) [CH3:1][C@H:19]1[CH2:16][N:33]([C:27]([CH2:14][CH:21]2[CH2:10][CH2:11]2)=[O:34])[C@@H:20]([CH3:2])[CH2:18][O:38][C:25]2=[C:24]([CH:15]=[C:23]([NH:31][C:29](=[N:30][C:22]3=[CH:8][CH:6]=[CH:5][CH:7]=[CH:9]3)[OH:36])[CH:12]=[CH:13]2)[C:28](=[O:35])[N:32]([CH3:3])[CH2:17][C@H:26]1[O:37][CH3:4]

Parent-child relations graph

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