(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-8-(5-pyrimidinyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

Properties Image MNX_ID MNXM170431 reference chebi:96093 formula C32H35N5O4 global charge 0 mol weight 553.663 InChIKey ANXFQERLRQGOSV-HFZPWKHCSA-N InChI InChI=1S/C32H35N5O4/c1-22-17-37(23(2)20-38)32(39)29-13-25(26-14-33-21-34-15-26)16-35-31(29)41-30(22)19-36(3)18-24-9-11-28(12-10-24)40-27-7-5-4-6-8-27/h4-16,21-23,30,38H,17-20H2,1-3H3/t22-,23+,30+/m1/s1 SMILES C[C@@H]1CN([C@@H](C)CO)C(=O)C2=C(N=CC(C3=CN=CN=C3)=C2)O[C@H]1CN(C)CC1=CC=C(OC2=CC=CC=C2)C=C1 MNX internals InChI (mnx) InChI=1/C32H35N5O4/c1-22-17-37(23(2)20-38)32(39)29-13-25(26-14-33-21-34-15-26)16-35-31(29)41-30(22)19-36(3)18-24-9-11-28(12-10-24)40-27-7-5-4-6-8-27/h4-16,21-23,30,38H,17-20H2,1-3H3/t22-,23+,30+/m1/s1 SMILES (mnx) [CH3:1][C@@H:22]1[CH2:17][N:37]([C@@H:23]([CH3:2])[CH2:20][OH:38])[C:32](=[O:39])[C:29]2=[C:31]([N:35]=[CH:16][C:25]([C:26]3=[CH:14][N:33]=[CH:21][N:34]=[CH:15]3)=[CH:13]2)[O:41][C@H:30]1[CH2:19][N:36]([CH3:3])[CH2:18][C:24]1=[CH:10][CH:12]=[C:28]([O:40][C:27]2=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]2)[CH:11]=[CH:9]1

Parent-child relations graph

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