1-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methyl-3-[4-(1-piperidinyl)phenyl]urea

Properties Image MNX_ID MNXM341961 reference chebi:112591 formula C28H43N7O4 global charge 0 mol weight 541.697 InChIKey WJAIMBKFVIKGAD-TVZXLZGTSA-N InChI InChI=1S/C28H43N7O4/c1-21-17-34(22(2)19-36)27(37)8-7-15-35-25(16-29-31-35)20-39-26(21)18-32(3)28(38)30-23-9-11-24(12-10-23)33-13-5-4-6-14-33/h9-12,16,21-22,26,36H,4-8,13-15,17-20H2,1-3H3,(H,30,38)/t21-,22+,26-/m1/s1 SMILES C[C@@H]1CN([C@@H](C)CO)C(=O)CCCN2N=NC=C2CO[C@@H]1CN(C)C(=O)NC1=CC=C(N2CCCCC2)C=C1 MNX internals InChI (mnx) InChI=1/C28H43N7O4/c1-21-17-34(22(2)19-36)27(37)8-7-15-35-25(16-29-31-35)20-39-26(21)18-32(3)28(38)30-23-9-11-24(12-10-23)33-13-5-4-6-14-33/h9-12,16,21-22,26,36H,4-8,13-15,17-20H2,1-3H3,(H,30,38)/t21-,22+,26-/m1/s1 SMILES (mnx) [CH3:1][C@@H:21]1[CH2:17][N:34]([C@@H:22]([CH3:2])[CH2:19][OH:36])[C:27](=[O:37])[CH2:8][CH2:7][CH2:15][N:35]2[C:25](=[CH:16][N:29]=[N:31]2)[CH2:20][O:39][C@@H:26]1[CH2:18][N:32]([CH3:3])[C:28]([NH:30][C:23]1=[CH:10][CH:12]=[C:24]([N:33]2[CH2:13][CH2:5][CH2:4][CH2:6][CH2:14]2)[CH:11]=[CH:9]1)=[O:38]

Parent-child relations graph

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