(5S,6R,9R)-N-(2-chlorophenyl)-5-methoxy-3,6,9-trimethyl-2-oxo-14-(pyridine-2-carbonylamino)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide

Properties Image MNX_ID MNXM172783 reference chebi:98301 formula C30H34ClN5O5 global charge 0 mol weight 580.085 InChIKey DHFBNNLIQXQYTF-SEXOINJZSA-N InChI InChI=1S/C30H34ClN5O5/c1-19-16-36(30(39)34-24-10-6-5-9-23(24)31)20(2)18-41-26-15-21(33-28(37)25-11-7-8-14-32-25)12-13-22(26)29(38)35(3)17-27(19)40-4/h5-15,19-20,27H,16-18H2,1-4H3,(H,33,37)(H,34,39)/t19-,20-,27-/m1/s1 SMILES CO[C@@H]1CN(C)C(=O)C2=C(C=C(NC(=O)C3=CC=CC=N3)C=C2)OC[C@@H](C)N(C(=O)NC2=CC=CC=C2Cl)C[C@H]1C MNX internals InChI (mnx) InChI=1/C30H34ClN5O5/c1-19-16-36(30(39)34-24-10-6-5-9-23(24)31)20(2)18-41-26-15-21(33-28(37)25-11-7-8-14-32-25)12-13-22(26)29(38)35(3)17-27(19)40-4/h5-15,19-20,27H,16-18H2,1-4H3,(H,33,37)(H,34,39)/t19-,20-,27-/m1/s1 SMILES (mnx) [CH3:1][C@@H:19]1[CH2:16][N:36]([C:30](=[N:34][C:24]2=[CH:10][CH:6]=[CH:5][CH:9]=[C:23]2[Cl:31])[OH:39])[C@H:20]([CH3:2])[CH2:18][O:41][C:26]2=[C:22]([CH:13]=[CH:12][C:21]([N:33]=[C:28]([C:25]3=[CH:11][CH:7]=[CH:8][CH:14]=[N:32]3)[OH:37])=[CH:15]2)[C:29](=[O:38])[N:35]([CH3:3])[CH2:17][C@H:27]1[O:40][CH3:4]

Parent-child relations graph

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