1-[(3R,9R,10S)-9-[(dimethylamino)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-propan-2-ylurea

Properties Image MNX_ID MNXM339968 reference chebi:103530 formula C27H46N4O5 global charge 0 mol weight 506.688 InChIKey YWYDVFGOYOJBGO-SMTRIPRVSA-N InChI InChI=1S/C27H46N4O5/c1-18(2)28-27(34)29-22-11-12-24-23(14-22)26(33)31(20(4)17-32)15-19(3)25(16-30(6)7)35-13-9-8-10-21(5)36-24/h11-12,14,18-21,25,32H,8-10,13,15-17H2,1-7H3,(H2,28,29,34)/t19-,20+,21+,25-/m0/s1 SMILES CC(C)NC(=O)NC1=CC2=C(C=C1)O[C@H](C)CCCCO[C@@H](CN(C)C)[C@@H](C)CN([C@H](C)CO)C2=O MNX internals InChI (mnx) InChI=1/C27H46N4O5/c1-18(2)28-27(34)29-22-11-12-24-23(14-22)26(33)31(20(4)17-32)15-19(3)25(16-30(6)7)35-13-9-8-10-21(5)36-24/h11-12,14,18-21,25,32H,8-10,13,15-17H2,1-7H3,(H2,28,29,34)/t19-,20+,21+,25-/m0/s1 SMILES (mnx) [CH3:1][CH:18]([CH3:2])[N:28]=[C:27]([NH:29][C:22]1=[CH:11][CH:12]=[C:24]2[C:23](=[CH:14]1)[C:26](=[O:33])[N:31]([C@H:20]([CH3:4])[CH2:17][OH:32])[CH2:15][C@H:19]([CH3:3])[C@H:25]([CH2:16][N:30]([CH3:6])[CH3:7])[O:35][CH2:13][CH2:9][CH2:8][CH2:10][C@@H:21]([CH3:5])[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