(8R,9S)-9-[[cyclopentylmethyl(methyl)amino]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 MNXM173682 reference chebi:113474 formula C22H39N5O3 global charge 0 mol weight 421.586 InChIKey FRGWQMAVHSUOQI-DBXWQHBBSA-N InChI InChI=1S/C22H39N5O3/c1-17-11-27(18(2)15-28)22(29)9-6-10-26-13-20(23-24-26)16-30-21(17)14-25(3)12-19-7-4-5-8-19/h13,17-19,21,28H,4-12,14-16H2,1-3H3/t17-,18-,21-/m1/s1 SMILES C[C@@H]1CN([C@H](C)CO)C(=O)CCCN2C=C(CO[C@@H]1CN(C)CC1CCCC1)N=N2 MNX internals InChI (mnx) InChI=1/C22H39N5O3/c1-17-11-27(18(2)15-28)22(29)9-6-10-26-13-20(23-24-26)16-30-21(17)14-25(3)12-19-7-4-5-8-19/h13,17-19,21,28H,4-12,14-16H2,1-3H3/t17-,18-,21-/m1/s1 SMILES (mnx) [CH3:1][C@@H:17]1[CH2:11][N:27]([C@H:18]([CH3:2])[CH2:15][OH:28])[C:22](=[O:29])[CH2:9][CH2:6][CH2:10][N:26]2[CH:13]=[C:20]([CH2:16][O:30][C@@H:21]1[CH2:14][N:25]([CH3:3])[CH2:12][CH:19]1[CH2:7][CH2:4][CH2:5][CH2:8]1)[N:23]=[N:24]2

Parent-child relations graph

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