1-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(phenylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea

Properties Image MNX_ID MNXM340654 reference chebi:110778 formula C28H40N4O4 global charge 0 mol weight 496.652 InChIKey KXFHRBKAIONQAO-ISJBWFOZSA-N InChI InChI=1S/C28H40N4O4/c1-6-14-29-28(34)30-23-12-13-24-25(15-23)36-19-21(3)32(17-22-10-8-7-9-11-22)16-20(2)26(35-5)18-31(4)27(24)33/h7-13,15,20-21,26H,6,14,16-19H2,1-5H3,(H2,29,30,34)/t20-,21-,26+/m0/s1 SMILES CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(CC1=CC=CC=C1)[C@@H](C)CO2 MNX internals InChI (mnx) InChI=1/C28H40N4O4/c1-6-14-29-28(34)30-23-12-13-24-25(15-23)36-19-21(3)32(17-22-10-8-7-9-11-22)16-20(2)26(35-5)18-31(4)27(24)33/h7-13,15,20-21,26H,6,14,16-19H2,1-5H3,(H2,29,30,34)/t20-,21-,26+/m0/s1 SMILES (mnx) [CH3:1][CH2:6][CH2:14][N:29]=[C:28]([NH:30][C:23]1=[CH:15][C:25]2=[C:24]([CH:13]=[CH:12]1)[C:27](=[O:33])[N:31]([CH3:4])[CH2:18][C@@H:26]([O:35][CH3:5])[C@@H:20]([CH3:2])[CH2:16][N:32]([CH2:17][C:22]1=[CH:10][CH:8]=[CH:7][CH:9]=[CH:11]1)[C@@H:21]([CH3:3])[CH2:19][O:36]2)[OH:34]

Parent-child relations graph

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