1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea

Properties Image MNX_ID MNXM341151 reference chebi:95541 formula C30H33N5O5 global charge 0 mol weight 543.624 InChIKey IVQXIBZAZBUJJC-GNMOFYLKSA-N InChI InChI=1S/C30H33N5O5/c1-20-17-35(21(2)19-36)29(37)26-14-23(9-8-22-10-12-31-13-11-22)16-32-28(26)40-27(20)18-34(3)30(38)33-24-6-5-7-25(15-24)39-4/h5-7,10-16,20-21,27,36H,17-19H2,1-4H3,(H,33,38)/t20-,21-,27+/m1/s1 SMILES COC1=CC=CC(NC(=O)N(C)C[C@@H]2OC3=C(C=C(C#CC4=CC=NC=C4)C=N3)C(=O)N([C@H](C)CO)C[C@H]2C)=C1 MNX internals InChI (mnx) InChI=1/C30H33N5O5/c1-20-17-35(21(2)19-36)29(37)26-14-23(9-8-22-10-12-31-13-11-22)16-32-28(26)40-27(20)18-34(3)30(38)33-24-6-5-7-25(15-24)39-4/h5-7,10-16,20-21,27,36H,17-19H2,1-4H3,(H,33,38)/t20-,21-,27+/m1/s1 SMILES (mnx) [CH3:1][C@@H:20]1[CH2:17][N:35]([C@H:21]([CH3:2])[CH2:19][OH:36])[C:29](=[O:37])[C:26]2=[C:28]([N:32]=[CH:16][C:23]([C:9]#[C:8][C:22]3=[CH:11][CH:13]=[N:31][CH:12]=[CH:10]3)=[CH:14]2)[O:40][C@H:27]1[CH2:18][N:34]([CH3:3])[C:30](=[N:33][C:24]1=[CH:15][C:25]([O:39][CH3:4])=[CH:7][CH:5]=[CH:6]1)[OH:38]

Parent-child relations graph

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