1-[(4S,7R,8R)-5-[cyclohexyl(oxo)methyl]-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-propylurea

Properties Image MNX_ID MNXM340423 reference chebi:122589 formula C28H44N4O5 global charge 0 mol weight 516.683 InChIKey VUNNIGMMXHQHNM-RNHFSVANSA-N InChI InChI=1S/C28H44N4O5/c1-6-14-29-28(35)30-22-12-13-24-23(15-22)27(34)31(4)17-25(36-5)19(2)16-32(20(3)18-37-24)26(33)21-10-8-7-9-11-21/h12-13,15,19-21,25H,6-11,14,16-18H2,1-5H3,(H2,29,30,35)/t19-,20+,25+/m1/s1 SMILES CCCNC(=O)NC1=CC2=C(C=C1)OC[C@H](C)N(C(=O)C1CCCCC1)C[C@@H](C)[C@@H](OC)CN(C)C2=O MNX internals InChI (mnx) InChI=1/C28H44N4O5/c1-6-14-29-28(35)30-22-12-13-24-23(15-22)27(34)31(4)17-25(36-5)19(2)16-32(20(3)18-37-24)26(33)21-10-8-7-9-11-21/h12-13,15,19-21,25H,6-11,14,16-18H2,1-5H3,(H2,29,30,35)/t19-,20+,25+/m1/s1 SMILES (mnx) [CH3:1][CH2:6][CH2:14][N:29]=[C:28]([NH:30][C:22]1=[CH:15][C:23]2=[C:24]([CH:13]=[CH:12]1)[O:37][CH2:18][C@H:20]([CH3:3])[N:32]([C:26]([CH:21]1[CH2:10][CH2:8][CH2:7][CH2:9][CH2:11]1)=[O:33])[CH2:16][C@@H:19]([CH3:2])[C@@H:25]([O:36][CH3:5])[CH2:17][N:31]([CH3:4])[C:27]2=[O:34])[OH:35]

Parent-child relations graph

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