1-[(3S,9S,10S)-9-[[cyclopropylmethyl(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-(4-fluorophenyl)urea

Properties Image MNX_ID MNXM340263 reference chebi:104741 formula C33H47FN4O5 global charge 0 mol weight 598.76 InChIKey STYUMYTXFXXJJW-PHSVBEEISA-N InChI InChI=1S/C33H47FN4O5/c1-22-18-38(23(2)21-39)32(40)29-17-28(36-33(41)35-27-12-10-26(34)11-13-27)14-15-30(29)43-24(3)7-5-6-16-42-31(22)20-37(4)19-25-8-9-25/h10-15,17,22-25,31,39H,5-9,16,18-21H2,1-4H3,(H2,35,36,41)/t22-,23+,24-,31+/m0/s1 SMILES C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)CC2CC2)OCCCC[C@H](C)OC2=C(C=C(NC(=O)NC3=CC=C(F)C=C3)C=C2)C1=O MNX internals InChI (mnx) InChI=1/C33H47FN4O5/c1-22-18-38(23(2)21-39)32(40)29-17-28(36-33(41)35-27-12-10-26(34)11-13-27)14-15-30(29)43-24(3)7-5-6-16-42-31(22)20-37(4)19-25-8-9-25/h10-15,17,22-25,31,39H,5-9,16,18-21H2,1-4H3,(H2,35,36,41)/t22-,23+,24-,31+/m0/s1 SMILES (mnx) [CH3:1][C@H:22]1[CH2:18][N:38]([C@H:23]([CH3:2])[CH2:21][OH:39])[C:32](=[O:40])[C:29]2=[CH:17][C:28]([N:36]=[C:33]([NH:35][C:27]3=[CH:13][CH:11]=[C:26]([F:34])[CH:10]=[CH:12]3)[OH:41])=[CH:14][CH:15]=[C:30]2[O:43][C@@H:24]([CH3:3])[CH2:7][CH2:5][CH2:6][CH2:16][O:42][C@@H:31]1[CH2:20][N:37]([CH3:4])[CH2:19][CH:25]1[CH2:8][CH2:9]1

Parent-child relations graph

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