1-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[[4-(2-pyridinyl)phenyl]methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea

Properties Image MNX_ID MNXM340412 reference chebi:98651 formula C33H43N5O4 global charge 0 mol weight 573.738 InChIKey DHPIXDXHWYRYQT-BKZGZDJESA-N InChI InChI=1S/C33H43N5O4/c1-6-16-35-33(40)36-27-14-15-30-28(18-27)32(39)37(4)21-31(41-5)23(2)19-38(24(3)22-42-30)20-25-10-12-26(13-11-25)29-9-7-8-17-34-29/h7-15,17-18,23-24,31H,6,16,19-22H2,1-5H3,(H2,35,36,40)/t23-,24+,31+/m0/s1 SMILES CCCNC(=O)NC1=CC2=C(C=C1)OC[C@@H](C)N(CC1=CC=C(C3=CC=CC=N3)C=C1)C[C@H](C)[C@H](OC)CN(C)C2=O MNX internals InChI (mnx) InChI=1/C33H43N5O4/c1-6-16-35-33(40)36-27-14-15-30-28(18-27)32(39)37(4)21-31(41-5)23(2)19-38(24(3)22-42-30)20-25-10-12-26(13-11-25)29-9-7-8-17-34-29/h7-15,17-18,23-24,31H,6,16,19-22H2,1-5H3,(H2,35,36,40)/t23-,24+,31+/m0/s1 SMILES (mnx) [CH3:1][CH2:6][CH2:16][N:35]=[C:33]([NH:36][C:27]1=[CH:18][C:28]2=[C:30]([CH:15]=[CH:14]1)[O:42][CH2:22][C@@H:24]([CH3:3])[N:38]([CH2:20][C:25]1=[CH:11][CH:13]=[C:26]([C:29]3=[CH:9][CH:7]=[CH:8][CH:17]=[N:34]3)[CH:12]=[CH:10]1)[CH2:19][C@H:23]([CH3:2])[C@H:31]([O:41][CH3:5])[CH2:21][N:37]([CH3:4])[C:32]2=[O:39])[OH:40]

Parent-child relations graph

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