1-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea

Properties Image MNX_ID MNXM339753 reference chebi:124450 formula C30H37N5O4 global charge 0 mol weight 531.657 InChIKey GKNVWIZUYOTGAW-RXYILKCJSA-N InChI InChI=1S/C30H37N5O4/c1-21-17-35(22(2)20-36)29(37)16-24-15-26(33-30(38)32-25-7-5-4-6-8-25)9-10-27(24)39-28(21)19-34(3)18-23-11-13-31-14-12-23/h4-15,21-22,28,36H,16-20H2,1-3H3,(H2,32,33,38)/t21-,22-,28+/m0/s1 SMILES C[C@H]1CN([C@@H](C)CO)C(=O)CC2=C(C=CC(NC(=O)NC3=CC=CC=C3)=C2)O[C@@H]1CN(C)CC1=CC=NC=C1 MNX internals InChI (mnx) InChI=1/C30H37N5O4/c1-21-17-35(22(2)20-36)29(37)16-24-15-26(33-30(38)32-25-7-5-4-6-8-25)9-10-27(24)39-28(21)19-34(3)18-23-11-13-31-14-12-23/h4-15,21-22,28,36H,16-20H2,1-3H3,(H2,32,33,38)/t21-,22-,28+/m0/s1 SMILES (mnx) [CH3:1][C@H:21]1[CH2:17][N:35]([C@@H:22]([CH3:2])[CH2:20][OH:36])[C:29](=[O:37])[CH2:16][C:24]2=[C:27]([CH:10]=[CH:9][C:26]([NH:33][C:30](=[N:32][C:25]3=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]3)[OH:38])=[CH:15]2)[O:39][C@@H:28]1[CH2:19][N:34]([CH3:3])[CH2:18][C:23]1=[CH:12][CH:14]=[N:31][CH:13]=[CH:11]1

Parent-child relations graph

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