1-(1,3-benzodioxol-5-yl)-3-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea

Properties Image MNX_ID MNXM179410 reference chebi:124353 formula C33H40N4O7 global charge 0 mol weight 604.704 InChIKey VJXHRMPDQSPMOP-KFCPHXPSSA-N InChI InChI=1S/C33H40N4O7/c1-21-16-37(22(2)19-38)32(39)14-24-13-25(34-33(40)35-26-8-12-29-30(15-26)43-20-42-29)7-11-28(24)44-31(21)18-36(3)17-23-5-9-27(41-4)10-6-23/h5-13,15,21-22,31,38H,14,16-20H2,1-4H3,(H2,34,35,40)/t21-,22-,31-/m1/s1 SMILES COC1=CC=C(CN(C)C[C@H]2OC3=C(C=C(NC(=O)NC4=CC5=C(C=C4)OCO5)C=C3)CC(=O)N([C@H](C)CO)C[C@H]2C)C=C1 MNX internals InChI (mnx) InChI=1/C33H40N4O7/c1-21-16-37(22(2)19-38)32(39)14-24-13-25(34-33(40)35-26-8-12-29-30(15-26)43-20-42-29)7-11-28(24)44-31(21)18-36(3)17-23-5-9-27(41-4)10-6-23/h5-13,15,21-22,31,38H,14,16-20H2,1-4H3,(H2,34,35,40)/t21-,22-,31-/m1/s1 SMILES (mnx) [CH3:1][C@@H:21]1[CH2:16][N:37]([C@H:22]([CH3:2])[CH2:19][OH:38])[C:32](=[O:39])[CH2:14][C:24]2=[C:28]([CH:11]=[CH:7][C:25]([NH:34][C:33](=[N:35][C:26]3=[CH:15][C:30]4=[C:29]([CH:12]=[CH:8]3)[O:42][CH2:20][O:43]4)[OH:40])=[CH:13]2)[O:44][C@@H:31]1[CH2:18][N:36]([CH3:3])[CH2:17][C:23]1=[CH:6][CH:10]=[C:27]([O:41][CH3:4])[CH:9]=[CH:5]1

Parent-child relations graph

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