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

Properties Image MNX_ID MNXM341290 reference chebi:96351 formula C27H37N5O5 global charge 0 mol weight 511.623 InChIKey GOGVGZCTCHGHTM-QQMNAOGKSA-N InChI InChI=1S/C27H37N5O5/c1-16-13-32(17(2)15-33)26(34)22-11-21(20-9-7-6-8-10-20)12-28-25(22)36-23(16)14-31(5)27(35)29-24-18(3)30-37-19(24)4/h9,11-12,16-17,23,33H,6-8,10,13-15H2,1-5H3,(H,29,35)/t16-,17-,23-/m0/s1 SMILES CC1=NOC(C)=C1NC(=O)N(C)C[C@@H]1OC2=C(C=C(C3=CCCCC3)C=N2)C(=O)N([C@@H](C)CO)C[C@@H]1C MNX internals InChI (mnx) InChI=1/C27H37N5O5/c1-16-13-32(17(2)15-33)26(34)22-11-21(20-9-7-6-8-10-20)12-28-25(22)36-23(16)14-31(5)27(35)29-24-18(3)30-37-19(24)4/h9,11-12,16-17,23,33H,6-8,10,13-15H2,1-5H3,(H,29,35)/t16-,17-,23-/m0/s1 SMILES (mnx) [CH3:1][C@H:16]1[CH2:13][N:32]([C@@H:17]([CH3:2])[CH2:15][OH:33])[C:26](=[O:34])[C:22]2=[C:25]([N:28]=[CH:12][C:21]([C:20]3=[CH:9][CH2:7][CH2:6][CH2:8][CH2:10]3)=[CH:11]2)[O:36][C@H:23]1[CH2:14][N:31]([CH3:5])[C:27](=[N:29][C:24]1=[C:19]([CH3:4])[O:37][N:30]=[C:18]1[CH3:3])[OH:35]

Parent-child relations graph

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