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

Properties Image MNX_ID MNXM171577 reference chebi:113881 formula C32H37N3O4 global charge 0 mol weight 527.665 InChIKey KSFWKEJSKQZBOG-WUBQMYJQSA-N InChI InChI=1S/C32H37N3O4/c1-22-18-35(23(2)21-36)32(38)29-16-26(11-10-24(3)37)17-33-31(29)39-30(22)20-34(4)19-25-12-14-28(15-13-25)27-8-6-5-7-9-27/h5-9,12-17,22-24,30,36-37H,18-21H2,1-4H3/t22-,23+,24-,30+/m0/s1 SMILES C[C@H](O)C#CC1=CC2=C(N=C1)O[C@H](CN(C)CC1=CC=C(C3=CC=CC=C3)C=C1)[C@@H](C)CN([C@H](C)CO)C2=O MNX internals InChI (mnx) InChI=1/C32H37N3O4/c1-22-18-35(23(2)21-36)32(38)29-16-26(11-10-24(3)37)17-33-31(29)39-30(22)20-34(4)19-25-12-14-28(15-13-25)27-8-6-5-7-9-27/h5-9,12-17,22-24,30,36-37H,18-21H2,1-4H3/t22-,23+,24-,30+/m0/s1 SMILES (mnx) [CH3:1][C@H:22]1[CH2:18][N:35]([C@H:23]([CH3:2])[CH2:21][OH:36])[C:32](=[O:38])[C:29]2=[C:31]([N:33]=[CH:17][C:26]([C:11]#[C:10][C@H:24]([CH3:3])[OH:37])=[CH:16]2)[O:39][C@@H:30]1[CH2:20][N:34]([CH3:4])[CH2:19][C:25]1=[CH:13][CH:15]=[C:28]([C:27]2=[CH:8][CH:6]=[CH:5][CH:7]=[CH:9]2)[CH:14]=[CH:12]1

Parent-child relations graph

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