1-[(5S,6S,9S)-8-(cyclopropylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea

Properties Image MNX_ID MNXM340663 reference chebi:102844 formula C27H39N5O5 global charge 0 mol weight 513.639 InChIKey BVCIWUWSCCLIPT-WOGXIUBCSA-N InChI InChI=1S/C27H39N5O5/c1-16-12-32(13-20-7-8-20)17(2)15-36-23-11-21(28-27(34)29-25-18(3)30-37-19(25)4)9-10-22(23)26(33)31(5)14-24(16)35-6/h9-11,16-17,20,24H,7-8,12-15H2,1-6H3,(H2,28,29,34)/t16-,17-,24+/m0/s1 SMILES CO[C@@H]1CN(C)C(=O)C2=C(C=C(NC(=O)NC3=C(C)ON=C3C)C=C2)OC[C@H](C)N(CC2CC2)C[C@@H]1C MNX internals InChI (mnx) InChI=1/C27H39N5O5/c1-16-12-32(13-20-7-8-20)17(2)15-36-23-11-21(28-27(34)29-25-18(3)30-37-19(25)4)9-10-22(23)26(33)31(5)14-24(16)35-6/h9-11,16-17,20,24H,7-8,12-15H2,1-6H3,(H2,28,29,34)/t16-,17-,24+/m0/s1 SMILES (mnx) [CH3:1][C@H:16]1[CH2:12][N:32]([CH2:13][CH:20]2[CH2:7][CH2:8]2)[C@@H:17]([CH3:2])[CH2:15][O:36][C:23]2=[C:22]([CH:10]=[CH:9][C:21]([N:28]=[C:27]([NH:29][C:25]3=[C:19]([CH3:4])[O:37][N:30]=[C:18]3[CH3:3])[OH:34])=[CH:11]2)[C:26](=[O:33])[N:31]([CH3:5])[CH2:14][C@H:24]1[O:35][CH3:6]

Parent-child relations graph

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