1-[[(2R,3S)-8-(3-cyanophenyl)-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 MNXM341301 reference chebi:110048 formula C26H33N5O4 global charge 0 mol weight 479.581 InChIKey YVWHEBSLRQSAGP-IXFSTUDKSA-N InChI InChI=1S/C26H33N5O4/c1-5-9-28-26(34)30(4)15-23-17(2)14-31(18(3)16-32)25(33)22-11-21(13-29-24(22)35-23)20-8-6-7-19(10-20)12-27/h6-8,10-11,13,17-18,23,32H,5,9,14-16H2,1-4H3,(H,28,34)/t17-,18+,23-/m0/s1 SMILES CCCNC(=O)N(C)C[C@@H]1OC2=C(C=C(C3=CC=CC(C#N)=C3)C=N2)C(=O)N([C@H](C)CO)C[C@@H]1C MNX internals InChI (mnx) InChI=1/C26H33N5O4/c1-5-9-28-26(34)30(4)15-23-17(2)14-31(18(3)16-32)25(33)22-11-21(13-29-24(22)35-23)20-8-6-7-19(10-20)12-27/h6-8,10-11,13,17-18,23,32H,5,9,14-16H2,1-4H3,(H,28,34)/t17-,18+,23-/m0/s1 SMILES (mnx) [CH3:1][CH2:5][CH2:9][N:28]=[C:26]([N:30]([CH3:4])[CH2:15][C@H:23]1[C@@H:17]([CH3:2])[CH2:14][N:31]([C@H:18]([CH3:3])[CH2:16][OH:32])[C:25](=[O:33])[C:22]2=[C:24]([N:29]=[CH:13][C:21]([C:20]3=[CH:8][CH:6]=[CH:7][C:19]([C:12]#[N:27])=[CH:10]3)=[CH:11]2)[O:35]1)[OH:34]

Parent-child relations graph

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