1-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(3-pyridinyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-phenylurea

Properties Image MNX_ID MNXM341275 reference chebi:95662 formula C27H31N5O4 global charge 0 mol weight 489.576 InChIKey BUQVOPHSTBMFAQ-JXQFQVJHSA-N InChI InChI=1S/C27H31N5O4/c1-18-15-32(19(2)17-33)26(34)23-12-21(20-8-7-11-28-13-20)14-29-25(23)36-24(18)16-31(3)27(35)30-22-9-5-4-6-10-22/h4-14,18-19,24,33H,15-17H2,1-3H3,(H,30,35)/t18-,19-,24-/m0/s1 SMILES C[C@H]1CN([C@@H](C)CO)C(=O)C2=C(N=CC(C3=CN=CC=C3)=C2)O[C@H]1CN(C)C(=O)NC1=CC=CC=C1 MNX internals InChI (mnx) InChI=1/C27H31N5O4/c1-18-15-32(19(2)17-33)26(34)23-12-21(20-8-7-11-28-13-20)14-29-25(23)36-24(18)16-31(3)27(35)30-22-9-5-4-6-10-22/h4-14,18-19,24,33H,15-17H2,1-3H3,(H,30,35)/t18-,19-,24-/m0/s1 SMILES (mnx) [CH3:1][C@H:18]1[CH2:15][N:32]([C@@H:19]([CH3:2])[CH2:17][OH:33])[C:26](=[O:34])[C:23]2=[C:25]([N:29]=[CH:14][C:21]([C:20]3=[CH:13][N:28]=[CH:11][CH:7]=[CH:8]3)=[CH:12]2)[O:36][C@H:24]1[CH2:16][N:31]([CH3:3])[C:27](=[N:30][C:22]1=[CH:9][CH:5]=[CH:4][CH:6]=[CH:10]1)[OH:35]

Parent-child relations graph

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