1-[(5S,6R,9S)-8-(2-cyclopropyl-1-oxoethyl)-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-propan-2-ylurea

Properties Image MNX_ID MNXM340625 reference chebi:122552 formula C26H40N4O5 global charge 0 mol weight 488.629 InChIKey UUOIXUNLVHGQEP-IEGUWTFLSA-N InChI InChI=1S/C26H40N4O5/c1-16(2)27-26(33)28-20-9-10-21-22(12-20)35-15-18(4)30(24(31)11-19-7-8-19)13-17(3)23(34-6)14-29(5)25(21)32/h9-10,12,16-19,23H,7-8,11,13-15H2,1-6H3,(H2,27,28,33)/t17-,18+,23-/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(C(=O)CC2CC2)C[C@H]1C MNX internals InChI (mnx) InChI=1/C26H40N4O5/c1-16(2)27-26(33)28-20-9-10-21-22(12-20)35-15-18(4)30(24(31)11-19-7-8-19)13-17(3)23(34-6)14-29(5)25(21)32/h9-10,12,16-19,23H,7-8,11,13-15H2,1-6H3,(H2,27,28,33)/t17-,18+,23-/m1/s1 SMILES (mnx) [CH3:1][CH:16]([CH3:2])[N:27]=[C:26]([NH:28][C:20]1=[CH:12][C:22]2=[C:21]([CH:10]=[CH:9]1)[C:25](=[O:32])[N:29]([CH3:5])[CH2:14][C@@H:23]([O:34][CH3:6])[C@H:17]([CH3:3])[CH2:13][N:30]([C:24]([CH2:11][CH:19]1[CH2:7][CH2:8]1)=[O:31])[C@@H:18]([CH3:4])[CH2:15][O:35]2)[OH:33]

Parent-child relations graph

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