(2S,3S)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(4-oxanylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

Properties Image MNX_ID MNXM171572 reference chebi:95768 formula C25H37N3O5 global charge 0 mol weight 459.587 InChIKey AEYCXANGZGGWKX-RTXPOLOASA-N InChI InChI=1S/C25H37N3O5/c1-17-13-28(18(2)16-29)25(31)22-11-21(6-5-19(3)30)12-26-24(22)33-23(17)15-27(4)14-20-7-9-32-10-8-20/h11-12,17-20,23,29-30H,7-10,13-16H2,1-4H3/t17-,18+,19+,23+/m0/s1 SMILES C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)CC2CCOCC2)OC2=C(C=C(C#C[C@@H](C)O)C=N2)C1=O MNX internals InChI (mnx) InChI=1/C25H37N3O5/c1-17-13-28(18(2)16-29)25(31)22-11-21(6-5-19(3)30)12-26-24(22)33-23(17)15-27(4)14-20-7-9-32-10-8-20/h11-12,17-20,23,29-30H,7-10,13-16H2,1-4H3/t17-,18+,19+,23+/m0/s1 SMILES (mnx) [CH3:1][C@H:17]1[CH2:13][N:28]([C@H:18]([CH3:2])[CH2:16][OH:29])[C:25](=[O:31])[C:22]2=[C:24]([N:26]=[CH:12][C:21]([C:6]#[C:5][C@@H:19]([CH3:3])[OH:30])=[CH:11]2)[O:33][C@@H:23]1[CH2:15][N:27]([CH3:4])[CH2:14][CH:20]1[CH2:7][CH2:9][O:32][CH2:10][CH2:8]1

Parent-child relations graph

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