1-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea

Properties Image MNX_ID MNXM340102 reference chebi:128956 formula C36H48N4O7S global charge 0 mol weight 680.868 InChIKey NUFPJBMQCUUNGC-CBZWUMFZSA-N InChI InChI=1S/C36H48N4O7S/c1-25-14-17-31(18-15-25)48(44,45)39(5)23-34-26(2)22-40(27(3)24-41)35(42)32-21-30(38-36(43)37-29-12-7-6-8-13-29)16-19-33(32)47-28(4)11-9-10-20-46-34/h6-8,12-19,21,26-28,34,41H,9-11,20,22-24H2,1-5H3,(H2,37,38,43)/t26-,27+,28+,34+/m1/s1 SMILES CC1=CC=C(S(=O)(=O)N(C)C[C@@H]2OCCCC[C@H](C)OC3=C(C=C(NC(=O)NC4=CC=CC=C4)C=C3)C(=O)N([C@@H](C)CO)C[C@H]2C)C=C1 MNX internals InChI (mnx) InChI=1/C36H48N4O7S/c1-25-14-17-31(18-15-25)48(44,45)39(5)23-34-26(2)22-40(27(3)24-41)35(42)32-21-30(38-36(43)37-29-12-7-6-8-13-29)16-19-33(32)47-28(4)11-9-10-20-46-34/h6-8,12-19,21,26-28,34,41H,9-11,20,22-24H2,1-5H3,(H2,37,38,43)/t26-,27+,28+,34+/m1/s1 SMILES (mnx) [CH3:1][C:25]1=[CH:15][CH:18]=[C:31]([S:48]([N:39]([CH3:5])[CH2:23][C@H:34]2[C@H:26]([CH3:2])[CH2:22][N:40]([C@@H:27]([CH3:3])[CH2:24][OH:41])[C:35](=[O:42])[C:32]3=[CH:21][C:30]([NH:38][C:36](=[N:37][C:29]4=[CH:12][CH:7]=[CH:6][CH:8]=[CH:13]4)[OH:43])=[CH:16][CH:19]=[C:33]3[O:47][C@@H:28]([CH3:4])[CH2:11][CH2:9][CH2:10][CH2:20][O:46]2)(=[O:44])=[O:45])[CH:17]=[CH:14]1

Parent-child relations graph

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