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

Properties Image MNX_ID MNXM340336 reference chebi:122619 formula C32H39ClN4O5 global charge 0 mol weight 595.14 InChIKey AGBKMZIZBPHKPY-NPKFRGRUSA-N InChI InChI=1S/C32H39ClN4O5/c1-21-17-37(18-23-10-6-7-11-26(23)33)22(2)20-42-28-15-14-24(16-25(28)31(38)36(3)19-30(21)41-5)34-32(39)35-27-12-8-9-13-29(27)40-4/h6-16,21-22,30H,17-20H2,1-5H3,(H2,34,35,39)/t21-,22-,30-/m1/s1 SMILES COC1=CC=CC=C1NC(=O)NC1=CC2=C(C=C1)OC[C@@H](C)N(CC1=CC=CC=C1Cl)C[C@@H](C)[C@H](OC)CN(C)C2=O MNX internals InChI (mnx) InChI=1/C32H39ClN4O5/c1-21-17-37(18-23-10-6-7-11-26(23)33)22(2)20-42-28-15-14-24(16-25(28)31(38)36(3)19-30(21)41-5)34-32(39)35-27-12-8-9-13-29(27)40-4/h6-16,21-22,30H,17-20H2,1-5H3,(H2,34,35,39)/t21-,22-,30-/m1/s1 SMILES (mnx) [CH3:1][C@@H:21]1[CH2:17][N:37]([CH2:18][C:23]2=[CH:10][CH:6]=[CH:7][CH:11]=[C:26]2[Cl:33])[C@H:22]([CH3:2])[CH2:20][O:42][C:28]2=[C:25]([CH:16]=[C:24]([N:34]=[C:32]([NH:35][C:27]3=[CH:12][CH:8]=[CH:9][CH:13]=[C:29]3[O:40][CH3:4])[OH:39])[CH:14]=[CH:15]2)[C:31](=[O:38])[N:36]([CH3:3])[CH2:19][C@H:30]1[O:41][CH3:5]

Parent-child relations graph

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