1-[(3S,9R,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea

Properties Image MNX_ID MNXM340177 reference chebi:129746 formula C32H49N5O6 global charge 0 mol weight 599.773 InChIKey JVILTGOVTWEXFK-NVHIWKGNSA-N InChI InChI=1S/C32H49N5O6/c1-20-16-37(21(2)19-38)31(39)27-15-26(33-32(40)34-30-23(4)35-43-24(30)5)12-13-28(27)42-22(3)9-7-8-14-41-29(20)18-36(6)17-25-10-11-25/h12-13,15,20-22,25,29,38H,7-11,14,16-19H2,1-6H3,(H2,33,34,40)/t20-,21+,22-,29-/m0/s1 SMILES CC1=NOC(C)=C1NC(=O)NC1=CC2=C(C=C1)O[C@@H](C)CCCCO[C@@H](CN(C)CC1CC1)[C@@H](C)CN([C@H](C)CO)C2=O MNX internals InChI (mnx) InChI=1/C32H49N5O6/c1-20-16-37(21(2)19-38)31(39)27-15-26(33-32(40)34-30-23(4)35-43-24(30)5)12-13-28(27)42-22(3)9-7-8-14-41-29(20)18-36(6)17-25-10-11-25/h12-13,15,20-22,25,29,38H,7-11,14,16-19H2,1-6H3,(H2,33,34,40)/t20-,21+,22-,29-/m0/s1 SMILES (mnx) [CH3:1][C@H:20]1[CH2:16][N:37]([C@H:21]([CH3:2])[CH2:19][OH:38])[C:31](=[O:39])[C:27]2=[CH:15][C:26]([N:33]=[C:32]([NH:34][C:30]3=[C:24]([CH3:5])[O:43][N:35]=[C:23]3[CH3:4])[OH:40])=[CH:12][CH:13]=[C:28]2[O:42][C@@H:22]([CH3:3])[CH2:9][CH2:7][CH2:8][CH2:14][O:41][C@H:29]1[CH2:18][N:36]([CH3:6])[CH2:17][CH:25]1[CH2:10][CH2:11]1

Parent-child relations graph

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