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

Properties Image MNX_ID MNXM341296 reference chebi:109917 formula C30H38N4O4 global charge 0 mol weight 518.658 InChIKey RGYLHRJGNKTVCX-BERHBOFZSA-N InChI InChI=1S/C30H38N4O4/c1-21-18-34(22(2)20-35)29(36)26-16-24(15-14-23-10-6-4-7-11-23)17-31-28(26)38-27(21)19-33(3)30(37)32-25-12-8-5-9-13-25/h5,8-9,12-13,16-17,21-23,27,35H,4,6-7,10-11,18-20H2,1-3H3,(H,32,37)/t21-,22-,27-/m0/s1 SMILES C[C@H]1CN([C@@H](C)CO)C(=O)C2=C(N=CC(C#CC3CCCCC3)=C2)O[C@H]1CN(C)C(=O)NC1=CC=CC=C1 MNX internals InChI (mnx) InChI=1/C30H38N4O4/c1-21-18-34(22(2)20-35)29(36)26-16-24(15-14-23-10-6-4-7-11-23)17-31-28(26)38-27(21)19-33(3)30(37)32-25-12-8-5-9-13-25/h5,8-9,12-13,16-17,21-23,27,35H,4,6-7,10-11,18-20H2,1-3H3,(H,32,37)/t21-,22-,27-/m0/s1 SMILES (mnx) [CH3:1][C@H:21]1[CH2:18][N:34]([C@@H:22]([CH3:2])[CH2:20][OH:35])[C:29](=[O:36])[C:26]2=[C:28]([N:31]=[CH:17][C:24]([C:15]#[C:14][CH:23]3[CH2:10][CH2:6][CH2:4][CH2:7][CH2:11]3)=[CH:16]2)[O:38][C@H:27]1[CH2:19][N:33]([CH3:3])[C:30](=[N:32][C:25]1=[CH:12][CH:8]=[CH:5][CH:9]=[CH:13]1)[OH:37]

Parent-child relations graph

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