(8S,9S)-9-[[(4-hydroxyphenyl)methyl-methylamino]methyl]-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one

Properties Image MNX_ID MNXM173887 reference chebi:95601 formula C23H35N5O4 global charge 0 mol weight 445.564 InChIKey YNSZNIPNNMZZOV-NJNPRVFISA-N InChI InChI=1S/C23H35N5O4/c1-17-11-28(18(2)15-29)23(31)5-4-10-27-13-20(24-25-27)16-32-22(17)14-26(3)12-19-6-8-21(30)9-7-19/h6-9,13,17-18,22,29-30H,4-5,10-12,14-16H2,1-3H3/t17-,18+,22+/m0/s1 SMILES C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)CC2=CC=C(O)C=C2)OCC2=CN(CCCC1=O)N=N2 MNX internals InChI (mnx) InChI=1/C23H35N5O4/c1-17-11-28(18(2)15-29)23(31)5-4-10-27-13-20(24-25-27)16-32-22(17)14-26(3)12-19-6-8-21(30)9-7-19/h6-9,13,17-18,22,29-30H,4-5,10-12,14-16H2,1-3H3/t17-,18+,22+/m0/s1 SMILES (mnx) [CH3:1][C@H:17]1[CH2:11][N:28]([C@H:18]([CH3:2])[CH2:15][OH:29])[C:23](=[O:31])[CH2:5][CH2:4][CH2:10][N:27]2[CH:13]=[C:20]([CH2:16][O:32][C@@H:22]1[CH2:14][N:26]([CH3:3])[CH2:12][C:19]1=[CH:7][CH:9]=[C:21]([OH:30])[CH:8]=[CH:6]1)[N:24]=[N:25]2

Parent-child relations graph

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