(5S,6S,9S)-14-[[anilino(oxo)methyl]amino]-N-(3,5-dimethyl-4-isoxazolyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide

Properties Image MNX_ID MNXM172807 reference chebi:110786 formula C30H38N6O6 global charge 0 mol weight 578.67 InChIKey AHCGLCWYVPJPSC-LZJCXSABSA-N InChI InChI=1S/C30H38N6O6/c1-18-15-36(30(39)33-27-20(3)34-42-21(27)4)19(2)17-41-25-14-23(32-29(38)31-22-10-8-7-9-11-22)12-13-24(25)28(37)35(5)16-26(18)40-6/h7-14,18-19,26H,15-17H2,1-6H3,(H,33,39)(H2,31,32,38)/t18-,19-,26+/m0/s1 SMILES CO[C@@H]1CN(C)C(=O)C2=C(C=C(NC(=O)NC3=CC=CC=C3)C=C2)OC[C@H](C)N(C(=O)NC2=C(C)ON=C2C)C[C@@H]1C MNX internals InChI (mnx) InChI=1/C30H38N6O6/c1-18-15-36(30(39)33-27-20(3)34-42-21(27)4)19(2)17-41-25-14-23(32-29(38)31-22-10-8-7-9-11-22)12-13-24(25)28(37)35(5)16-26(18)40-6/h7-14,18-19,26H,15-17H2,1-6H3,(H,33,39)(H2,31,32,38)/t18-,19-,26+/m0/s1 SMILES (mnx) [CH3:1][C@H:18]1[CH2:15][N:36]([C:30](=[N:33][C:27]2=[C:21]([CH3:4])[O:42][N:34]=[C:20]2[CH3:3])[OH:39])[C@@H:19]([CH3:2])[CH2:17][O:41][C:25]2=[C:24]([CH:13]=[CH:12][C:23]([NH:32][C:29](=[N:31][C:22]3=[CH:10][CH:8]=[CH:7][CH:9]=[CH:11]3)[OH:38])=[CH:14]2)[C:28](=[O:37])[N:35]([CH3:5])[CH2:16][C@H:26]1[O:40][CH3:6]

Parent-child relations graph

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