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

Properties Image MNX_ID MNXM339540 reference chebi:129863 formula C33H37N5O4 global charge 0 mol weight 567.69 InChIKey VJMXJNGUWGEFKS-IKBQMQIHSA-N InChI InChI=1S/C33H37N5O4/c1-22-18-38(23(2)21-39)32(40)28-17-26(35-33(41)36-29-10-6-8-25-7-4-5-9-27(25)29)11-12-30(28)42-31(22)20-37(3)19-24-13-15-34-16-14-24/h4-17,22-23,31,39H,18-21H2,1-3H3,(H2,35,36,41)/t22-,23+,31-/m1/s1 SMILES C[C@@H]1CN([C@@H](C)CO)C(=O)C2=C(C=CC(NC(=O)NC3=CC=CC4=CC=CC=C43)=C2)O[C@@H]1CN(C)CC1=CC=NC=C1 MNX internals InChI (mnx) InChI=1/C33H37N5O4/c1-22-18-38(23(2)21-39)32(40)28-17-26(35-33(41)36-29-10-6-8-25-7-4-5-9-27(25)29)11-12-30(28)42-31(22)20-37(3)19-24-13-15-34-16-14-24/h4-17,22-23,31,39H,18-21H2,1-3H3,(H2,35,36,41)/t22-,23+,31-/m1/s1 SMILES (mnx) [CH3:1][C@@H:22]1[CH2:18][N:38]([C@@H:23]([CH3:2])[CH2:21][OH:39])[C:32](=[O:40])[C:28]2=[C:30]([CH:12]=[CH:11][C:26]([N:35]=[C:33]([NH:36][C:29]3=[CH:10][CH:6]=[CH:8][C:25]4=[CH:7][CH:4]=[CH:5][CH:9]=[C:27]43)[OH:41])=[CH:17]2)[O:42][C@@H:31]1[CH2:20][N:37]([CH3:3])[CH2:19][C:24]1=[CH:14][CH:16]=[N:34][CH:15]=[CH:13]1

Parent-child relations graph

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