1-(1,3-benzodioxol-5-yl)-3-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea

Properties Image MNX_ID MNXM179465 reference chebi:117696 formula C33H48N4O7 global charge 0 mol weight 612.768 InChIKey XLNHBFSEXGTYPK-GPYNCYNASA-N InChI InChI=1S/C33H48N4O7/c1-6-14-36(5)19-31-22(2)18-37(23(3)20-38)32(39)27-16-25(10-12-28(27)44-24(4)9-7-8-15-41-31)34-33(40)35-26-11-13-29-30(17-26)43-21-42-29/h10-13,16-17,22-24,31,38H,6-9,14-15,18-21H2,1-5H3,(H2,34,35,40)/t22-,23+,24+,31+/m0/s1 SMILES CCCN(C)C[C@H]1OCCCC[C@@H](C)OC2=C(C=C(NC(=O)NC3=CC4=C(C=C3)OCO4)C=C2)C(=O)N([C@H](C)CO)C[C@@H]1C MNX internals InChI (mnx) InChI=1/C33H48N4O7/c1-6-14-36(5)19-31-22(2)18-37(23(3)20-38)32(39)27-16-25(10-12-28(27)44-24(4)9-7-8-15-41-31)34-33(40)35-26-11-13-29-30(17-26)43-21-42-29/h10-13,16-17,22-24,31,38H,6-9,14-15,18-21H2,1-5H3,(H2,34,35,40)/t22-,23+,24+,31+/m0/s1 SMILES (mnx) [CH3:1][CH2:6][CH2:14][N:36]([CH3:5])[CH2:19][C@@H:31]1[C@@H:22]([CH3:2])[CH2:18][N:37]([C@H:23]([CH3:3])[CH2:20][OH:38])[C:32](=[O:39])[C:27]2=[CH:16][C:25]([N:34]=[C:33]([NH:35][C:26]3=[CH:17][C:30]4=[C:29]([CH:13]=[CH:11]3)[O:42][CH2:21][O:43]4)[OH:40])=[CH:10][CH:12]=[C:28]2[O:44][C@H:24]([CH3:4])[CH2:9][CH2:7][CH2:8][CH2:15][O:41]1

Parent-child relations graph

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