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

Properties Image MNX_ID MNXM340354 reference chebi:100180 formula C28H40N4O4 global charge 0 mol weight 496.652 InChIKey XLOJZIOISXYGBL-IPVFLDMMSA-N InChI InChI=1S/C28H40N4O4/c1-19(2)29-28(34)30-23-12-13-25-24(14-23)27(33)31(5)17-26(35-6)20(3)15-32(21(4)18-36-25)16-22-10-8-7-9-11-22/h7-14,19-21,26H,15-18H2,1-6H3,(H2,29,30,34)/t20-,21-,26-/m1/s1 SMILES CO[C@@H]1CN(C)C(=O)C2=C(C=CC(NC(=O)NC(C)C)=C2)OC[C@@H](C)N(CC2=CC=CC=C2)C[C@H]1C MNX internals InChI (mnx) InChI=1/C28H40N4O4/c1-19(2)29-28(34)30-23-12-13-25-24(14-23)27(33)31(5)17-26(35-6)20(3)15-32(21(4)18-36-25)16-22-10-8-7-9-11-22/h7-14,19-21,26H,15-18H2,1-6H3,(H2,29,30,34)/t20-,21-,26-/m1/s1 SMILES (mnx) [CH3:1][CH:19]([CH3:2])[N:29]=[C:28]([NH:30][C:23]1=[CH:14][C:24]2=[C:25]([CH:13]=[CH:12]1)[O:36][CH2:18][C@@H:21]([CH3:4])[N:32]([CH2:16][C:22]1=[CH:10][CH:8]=[CH:7][CH:9]=[CH:11]1)[CH2:15][C@@H:20]([CH3:3])[C@H:26]([O:35][CH3:6])[CH2:17][N:31]([CH3:5])[C:27]2=[O:33])[OH:34]

Parent-child relations graph

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