1-[[(2R,3R)-8-[2-(1-hydroxycyclopentyl)ethynyl]-5-[(2R)-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-propylurea

Properties Image MNX_ID MNXM341215 reference chebi:106228 formula C26H38N4O5 global charge 0 mol weight 486.613 InChIKey LOALBDSDXWHRAT-KNKQGSTJSA-N InChI InChI=1S/C26H38N4O5/c1-5-12-27-25(33)29(4)16-22-18(2)15-30(19(3)17-31)24(32)21-13-20(14-28-23(21)35-22)8-11-26(34)9-6-7-10-26/h13-14,18-19,22,31,34H,5-7,9-10,12,15-17H2,1-4H3,(H,27,33)/t18-,19-,22+/m1/s1 SMILES CCCNC(=O)N(C)C[C@@H]1OC2=C(C=C(C#CC3(O)CCCC3)C=N2)C(=O)N([C@H](C)CO)C[C@H]1C MNX internals InChI (mnx) InChI=1/C26H38N4O5/c1-5-12-27-25(33)29(4)16-22-18(2)15-30(19(3)17-31)24(32)21-13-20(14-28-23(21)35-22)8-11-26(34)9-6-7-10-26/h13-14,18-19,22,31,34H,5-7,9-10,12,15-17H2,1-4H3,(H,27,33)/t18-,19-,22+/m1/s1 SMILES (mnx) [CH3:1][CH2:5][CH2:12][N:27]=[C:25]([N:29]([CH3:4])[CH2:16][C@H:22]1[C@H:18]([CH3:2])[CH2:15][N:30]([C@H:19]([CH3:3])[CH2:17][OH:31])[C:24](=[O:32])[C:21]2=[C:23]([N:28]=[CH:14][C:20]([C:8]#[C:11][C:26]3([OH:34])[CH2:9][CH2:6][CH2:7][CH2:10]3)=[CH:13]2)[O:35]1)[OH:33]

Parent-child relations graph

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