1-[(4S,7S,8S)-5-[2-(dimethylamino)-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 MNXM340502 reference chebi:110699 formula C28H39N5O5 global charge 0 mol weight 525.65 InChIKey XWLPDPDFVWQKHJ-ZYLNGJIFSA-N InChI InChI=1S/C28H39N5O5/c1-19-15-33(26(34)17-31(3)4)20(2)18-38-24-13-12-22(30-28(36)29-21-10-8-7-9-11-21)14-23(24)27(35)32(5)16-25(19)37-6/h7-14,19-20,25H,15-18H2,1-6H3,(H2,29,30,36)/t19-,20-,25+/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)CN(C)C)C[C@@H]1C MNX internals InChI (mnx) InChI=1/C28H39N5O5/c1-19-15-33(26(34)17-31(3)4)20(2)18-38-24-13-12-22(30-28(36)29-21-10-8-7-9-11-21)14-23(24)27(35)32(5)16-25(19)37-6/h7-14,19-20,25H,15-18H2,1-6H3,(H2,29,30,36)/t19-,20-,25+/m0/s1 SMILES (mnx) [CH3:1][C@H:19]1[CH2:15][N:33]([C:26]([CH2:17][N:31]([CH3:3])[CH3:4])=[O:34])[C@@H:20]([CH3:2])[CH2:18][O:38][C:24]2=[C:23]([CH:14]=[C:22]([NH:30][C:28](=[N:29][C:21]3=[CH:10][CH:8]=[CH:7][CH:9]=[CH:11]3)[OH:36])[CH:12]=[CH:13]2)[C:27](=[O:35])[N:32]([CH3:5])[CH2:16][C@H:25]1[O:37][CH3:6]

Parent-child relations graph

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