(8R,9S)-9-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]methyl]-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one

Properties Image MNX_ID MNXM173674 reference chebi:96809 formula C25H37N5O5 global charge 0 mol weight 487.601 InChIKey KKGFASYBCNAVFA-YDIMBITNSA-N InChI InChI=1S/C25H37N5O5/c1-18-13-29(19(2)16-31)25(32)5-4-8-30-21(12-26-27-30)17-35-24(18)15-28(3)14-20-6-7-22-23(11-20)34-10-9-33-22/h6-7,11-12,18-19,24,31H,4-5,8-10,13-17H2,1-3H3/t18-,19+,24-/m1/s1 SMILES C[C@@H]1CN([C@@H](C)CO)C(=O)CCCN2N=NC=C2CO[C@@H]1CN(C)CC1=CC2=C(C=C1)OCCO2 MNX internals InChI (mnx) InChI=1/C25H37N5O5/c1-18-13-29(19(2)16-31)25(32)5-4-8-30-21(12-26-27-30)17-35-24(18)15-28(3)14-20-6-7-22-23(11-20)34-10-9-33-22/h6-7,11-12,18-19,24,31H,4-5,8-10,13-17H2,1-3H3/t18-,19+,24-/m1/s1 SMILES (mnx) [CH3:1][C@@H:18]1[CH2:13][N:29]([C@@H:19]([CH3:2])[CH2:16][OH:31])[C:25](=[O:32])[CH2:5][CH2:4][CH2:8][N:30]2[C:21](=[CH:12][N:26]=[N:27]2)[CH2:17][O:35][C@@H:24]1[CH2:15][N:28]([CH3:3])[CH2:14][C:20]1=[CH:11][C:23]2=[C:22]([CH:7]=[CH:6]1)[O:33][CH2:9][CH2:10][O:34]2

Parent-child relations graph

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