1-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea

Properties Image MNX_ID MNXM339295 reference chebi:126544 formula C28H40N4O5 global charge 0 mol weight 512.651 InChIKey ZELRDESQNQXQCO-UNVFRBQDSA-N InChI InChI=1S/C28H40N4O5/c1-18(2)29-28(35)30-22-9-12-25-24(13-22)27(34)32(20(4)17-33)14-19(3)26(37-25)16-31(5)15-21-7-10-23(36-6)11-8-21/h7-13,18-20,26,33H,14-17H2,1-6H3,(H2,29,30,35)/t19-,20+,26-/m0/s1 SMILES COC1=CC=C(CN(C)C[C@@H]2OC3=C(C=C(NC(=O)NC(C)C)C=C3)C(=O)N([C@H](C)CO)C[C@@H]2C)C=C1 MNX internals InChI (mnx) InChI=1/C28H40N4O5/c1-18(2)29-28(35)30-22-9-12-25-24(13-22)27(34)32(20(4)17-33)14-19(3)26(37-25)16-31(5)15-21-7-10-23(36-6)11-8-21/h7-13,18-20,26,33H,14-17H2,1-6H3,(H2,29,30,35)/t19-,20+,26-/m0/s1 SMILES (mnx) [CH3:1][CH:18]([CH3:2])[N:29]=[C:28]([NH:30][C:22]1=[CH:13][C:24]2=[C:25]([CH:12]=[CH:9]1)[O:37][C@@H:26]([CH2:16][N:31]([CH3:5])[CH2:15][C:21]1=[CH:8][CH:11]=[C:23]([O:36][CH3:6])[CH:10]=[CH:7]1)[C@@H:19]([CH3:3])[CH2:14][N:32]([C@H:20]([CH3:4])[CH2:17][OH:33])[C:27]2=[O:34])[OH:35]

Parent-child relations graph

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