1-[(3S,9S,10S)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(1-naphthalenyl)urea

Properties Image MNX_ID MNXM340258 reference chebi:126736 formula C40H56N4O5 global charge 0 mol weight 672.911 InChIKey DTGXRBNGNVLSQA-UUIBUHDGSA-N InChI InChI=1S/C40H56N4O5/c1-28-24-44(29(2)27-45)39(46)35-23-33(41-40(47)42-36-19-12-17-32-16-8-9-18-34(32)36)20-21-37(35)49-30(3)13-10-11-22-48-38(28)26-43(4)25-31-14-6-5-7-15-31/h8-9,12,16-21,23,28-31,38,45H,5-7,10-11,13-15,22,24-27H2,1-4H3,(H2,41,42,47)/t28-,29+,30-,38+/m0/s1 SMILES C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)CC2CCCCC2)OCCCC[C@H](C)OC2=C(C=C(NC(=O)NC3=CC=CC4=CC=CC=C43)C=C2)C1=O MNX internals InChI (mnx) InChI=1/C40H56N4O5/c1-28-24-44(29(2)27-45)39(46)35-23-33(41-40(47)42-36-19-12-17-32-16-8-9-18-34(32)36)20-21-37(35)49-30(3)13-10-11-22-48-38(28)26-43(4)25-31-14-6-5-7-15-31/h8-9,12,16-21,23,28-31,38,45H,5-7,10-11,13-15,22,24-27H2,1-4H3,(H2,41,42,47)/t28-,29+,30-,38+/m0/s1 SMILES (mnx) [CH3:1][C@H:28]1[CH2:24][N:44]([C@H:29]([CH3:2])[CH2:27][OH:45])[C:39](=[O:46])[C:35]2=[CH:23][C:33]([N:41]=[C:40]([NH:42][C:36]3=[CH:19][CH:12]=[CH:17][C:32]4=[CH:16][CH:8]=[CH:9][CH:18]=[C:34]43)[OH:47])=[CH:20][CH:21]=[C:37]2[O:49][C@@H:30]([CH3:3])[CH2:13][CH2:10][CH2:11][CH2:22][O:48][C@@H:38]1[CH2:26][N:43]([CH3:4])[CH2:25][CH:31]1[CH2:14][CH2:6][CH2:5][CH2:7][CH2:15]1

Parent-child relations graph

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