(4S,7R,8S)-14-[[(4-chloroanilino)-oxomethyl]amino]-N-(3,5-dimethyl-4-isoxazolyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide

Properties Image MNX_ID MNXM172626 reference chebi:104267 formula C30H37ClN6O6 global charge 0 mol weight 613.115 InChIKey CNFQIZJMIVHXMW-FIAZIHOUSA-N InChI InChI=1S/C30H37ClN6O6/c1-17-14-37(30(40)34-27-19(3)35-43-20(27)4)18(2)16-42-25-12-11-23(13-24(25)28(38)36(5)15-26(17)41-6)33-29(39)32-22-9-7-21(31)8-10-22/h7-13,17-18,26H,14-16H2,1-6H3,(H,34,40)(H2,32,33,39)/t17-,18+,26-/m1/s1 SMILES CO[C@@H]1CN(C)C(=O)C2=C(C=CC(NC(=O)NC3=CC=C(Cl)C=C3)=C2)OC[C@H](C)N(C(=O)NC2=C(C)ON=C2C)C[C@H]1C MNX internals InChI (mnx) InChI=1/C30H37ClN6O6/c1-17-14-37(30(40)34-27-19(3)35-43-20(27)4)18(2)16-42-25-12-11-23(13-24(25)28(38)36(5)15-26(17)41-6)33-29(39)32-22-9-7-21(31)8-10-22/h7-13,17-18,26H,14-16H2,1-6H3,(H,34,40)(H2,32,33,39)/t17-,18+,26-/m1/s1 SMILES (mnx) [CH3:1][C@@H:17]1[CH2:14][N:37]([C:30](=[N:34][C:27]2=[C:20]([CH3:4])[O:43][N:35]=[C:19]2[CH3:3])[OH:40])[C@@H:18]([CH3:2])[CH2:16][O:42][C:25]2=[C:24]([CH:13]=[C:23]([N:33]=[C:29]([NH:32][C:22]3=[CH:10][CH:8]=[C:21]([Cl:31])[CH:7]=[CH:9]3)[OH:39])[CH:11]=[CH:12]2)[C:28](=[O:38])[N:36]([CH3:5])[CH2:15][C@H:26]1[O:41][CH3:6]

Parent-child relations graph

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