1-(1,3-benzodioxol-5-yl)-3-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea

Properties Image MNX_ID MNXM179394 reference chebi:130902 formula C37H40N4O7 global charge 0 mol weight 652.748 InChIKey SIHGKWCNYKQFFR-LSJJIYBBSA-N InChI InChI=1S/C37H40N4O7/c1-24-19-41(25(2)22-42)36(43)31-17-27(38-37(44)39-28-12-16-33-34(18-28)46-23-45-33)11-15-32(31)48-35(24)21-40(3)20-26-9-13-30(14-10-26)47-29-7-5-4-6-8-29/h4-18,24-25,35,42H,19-23H2,1-3H3,(H2,38,39,44)/t24-,25+,35-/m0/s1 SMILES C[C@H](CO)N1C[C@H](C)[C@H](CN(C)CC2=CC=C(OC3=CC=CC=C3)C=C2)OC2=C(C=C(NC(=O)NC3=CC4=C(C=C3)OCO4)C=C2)C1=O MNX internals InChI (mnx) InChI=1/C37H40N4O7/c1-24-19-41(25(2)22-42)36(43)31-17-27(38-37(44)39-28-12-16-33-34(18-28)46-23-45-33)11-15-32(31)48-35(24)21-40(3)20-26-9-13-30(14-10-26)47-29-7-5-4-6-8-29/h4-18,24-25,35,42H,19-23H2,1-3H3,(H2,38,39,44)/t24-,25+,35-/m0/s1 SMILES (mnx) [CH3:1][C@H:24]1[CH2:19][N:41]([C@H:25]([CH3:2])[CH2:22][OH:42])[C:36](=[O:43])[C:31]2=[C:32]([CH:15]=[CH:11][C:27]([N:38]=[C:37]([NH:39][C:28]3=[CH:18][C:34]4=[C:33]([CH:16]=[CH:12]3)[O:45][CH2:23][O:46]4)[OH:44])=[CH:17]2)[O:48][C@H:35]1[CH2:21][N:40]([CH3:3])[CH2:20][C:26]1=[CH:10][CH:14]=[C:30]([O:47][C:29]2=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]2)[CH:13]=[CH:9]1

Parent-child relations graph

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