1-[[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea

Properties Image MNX_ID MNXM341699 reference chebi:103561 formula C30H51N5O6 global charge 0 mol weight 577.767 InChIKey HPPNONYMLIWSNI-IQXSCUCBSA-N InChI InChI=1S/C30H51N5O6/c1-19(2)31-29(38)33-24-12-13-26-25(15-24)28(37)35(22(6)18-36)16-21(5)27(17-34(8)30(39)32-20(3)4)40-14-10-9-11-23(7)41-26/h12-13,15,19-23,27,36H,9-11,14,16-18H2,1-8H3,(H,32,39)(H2,31,33,38)/t21-,22-,23+,27-/m1/s1 SMILES CC(C)NC(=O)NC1=CC2=C(C=C1)O[C@@H](C)CCCCO[C@H](CN(C)C(=O)NC(C)C)[C@H](C)CN([C@H](C)CO)C2=O MNX internals InChI (mnx) InChI=1/C30H51N5O6/c1-19(2)31-29(38)33-24-12-13-26-25(15-24)28(37)35(22(6)18-36)16-21(5)27(17-34(8)30(39)32-20(3)4)40-14-10-9-11-23(7)41-26/h12-13,15,19-23,27,36H,9-11,14,16-18H2,1-8H3,(H,32,39)(H2,31,33,38)/t21-,22-,23+,27-/m1/s1 SMILES (mnx) [CH3:1][CH:19]([CH3:2])[N:31]=[C:29]([NH:33][C:24]1=[CH:12][CH:13]=[C:26]2[C:25](=[CH:15]1)[C:28](=[O:37])[N:35]([C@H:22]([CH3:6])[CH2:18][OH:36])[CH2:16][C@@H:21]([CH3:5])[C@@H:27]([CH2:17][N:34]([CH3:8])[C:30](=[N:32][CH:20]([CH3:3])[CH3:4])[OH:39])[O:40][CH2:14][CH2:10][CH2:9][CH2:11][C@H:23]([CH3:7])[O:41]2)[OH:38]

Parent-child relations graph

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