(5S,6R,9R)-14-[(4-chlorophenyl)sulfonylamino]-5-methoxy-3,6,9-trimethyl-2-oxo-N-propan-2-yl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide

Properties Image MNX_ID MNXM172768 reference chebi:106701 formula C27H37ClN4O6S global charge 0 mol weight 581.135 InChIKey JVEUQFVGQSVVLY-MPCDZSKCSA-N InChI InChI=1S/C27H37ClN4O6S/c1-17(2)29-27(34)32-14-18(3)25(37-6)15-31(5)26(33)23-12-9-21(13-24(23)38-16-19(32)4)30-39(35,36)22-10-7-20(28)8-11-22/h7-13,17-19,25,30H,14-16H2,1-6H3,(H,29,34)/t18-,19-,25-/m1/s1 SMILES CO[C@@H]1CN(C)C(=O)C2=C(C=C(NS(=O)(=O)C3=CC=C(Cl)C=C3)C=C2)OC[C@@H](C)N(C(=O)NC(C)C)C[C@H]1C MNX internals InChI (mnx) InChI=1/C27H37ClN4O6S/c1-17(2)29-27(34)32-14-18(3)25(37-6)15-31(5)26(33)23-12-9-21(13-24(23)38-16-19(32)4)30-39(35,36)22-10-7-20(28)8-11-22/h7-13,17-19,25,30H,14-16H2,1-6H3,(H,29,34)/t18-,19-,25-/m1/s1 SMILES (mnx) [CH3:1][CH:17]([CH3:2])[N:29]=[C:27]([N:32]1[CH2:14][C@@H:18]([CH3:3])[C@H:25]([O:37][CH3:6])[CH2:15][N:31]([CH3:5])[C:26](=[O:33])[C:23]2=[C:24]([CH:13]=[C:21]([NH:30][S:39]([C:22]3=[CH:11][CH:8]=[C:20]([Cl:28])[CH:7]=[CH:10]3)(=[O:35])=[O:36])[CH:9]=[CH:12]2)[O:38][CH2:16][C@H:19]1[CH3:4])[OH:34]

Parent-child relations graph

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