1-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-8-methylsulfonyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea

Properties Image MNX_ID MNXM340604 reference chebi:122598 formula C22H36N4O6S global charge 0 mol weight 484.619 InChIKey PQUFACNXJQCPAH-JXXFODFXSA-N InChI InChI=1S/C22H36N4O6S/c1-14(2)23-22(28)24-17-8-9-18-19(10-17)32-13-16(4)26(33(7,29)30)11-15(3)20(31-6)12-25(5)21(18)27/h8-10,14-16,20H,11-13H2,1-7H3,(H2,23,24,28)/t15-,16-,20-/m1/s1 SMILES CO[C@@H]1CN(C)C(=O)C2=C(C=C(NC(=O)NC(C)C)C=C2)OC[C@@H](C)N(S(C)(=O)=O)C[C@H]1C MNX internals InChI (mnx) InChI=1/C22H36N4O6S/c1-14(2)23-22(28)24-17-8-9-18-19(10-17)32-13-16(4)26(33(7,29)30)11-15(3)20(31-6)12-25(5)21(18)27/h8-10,14-16,20H,11-13H2,1-7H3,(H2,23,24,28)/t15-,16-,20-/m1/s1 SMILES (mnx) [CH3:1][CH:14]([CH3:2])[N:23]=[C:22]([NH:24][C:17]1=[CH:10][C:19]2=[C:18]([CH:9]=[CH:8]1)[C:21](=[O:27])[N:25]([CH3:5])[CH2:12][C@@H:20]([O:31][CH3:6])[C@H:15]([CH3:3])[CH2:11][N:26]([S:33]([CH3:7])(=[O:29])=[O:30])[C@H:16]([CH3:4])[CH2:13][O:32]2)[OH:28]

Parent-child relations graph

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