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

Properties Image MNX_ID MNXM339718 reference chebi:124326 formula C20H32N4O4 global charge 0 mol weight 392.5 InChIKey NKEDBFYWGSEEHO-PMUMKWKESA-N InChI InChI=1S/C20H32N4O4/c1-12(2)22-20(27)23-15-6-7-17-16(8-15)19(26)24(14(4)11-25)10-13(3)18(28-17)9-21-5/h6-8,12-14,18,21,25H,9-11H2,1-5H3,(H2,22,23,27)/t13-,14+,18+/m0/s1 SMILES CNC[C@H]1OC2=C(C=C(NC(=O)NC(C)C)C=C2)C(=O)N([C@H](C)CO)C[C@@H]1C MNX internals InChI (mnx) InChI=1/C20H32N4O4/c1-12(2)22-20(27)23-15-6-7-17-16(8-15)19(26)24(14(4)11-25)10-13(3)18(28-17)9-21-5/h6-8,12-14,18,21,25H,9-11H2,1-5H3,(H2,22,23,27)/t13-,14+,18+/m0/s1 SMILES (mnx) [CH3:1][CH:12]([CH3:2])[N:22]=[C:20]([NH:23][C:15]1=[CH:8][C:16]2=[C:17]([CH:7]=[CH:6]1)[O:28][C@H:18]([CH2:9][NH:21][CH3:5])[C@@H:13]([CH3:3])[CH2:10][N:24]([C@H:14]([CH3:4])[CH2:11][OH:25])[C:19]2=[O:26])[OH:27]

Parent-child relations graph

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