1-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea

Properties Image MNX_ID MNXM339311 reference chebi:111778 formula C27H38N4O4 global charge 0 mol weight 482.625 InChIKey NCIZYGIVVKAPIW-ROKPMTFOSA-N InChI InChI=1S/C27H38N4O4/c1-18(2)28-27(34)29-23-13-9-12-22-25(23)35-24(16-30(5)15-21-10-7-6-8-11-21)19(3)14-31(26(22)33)20(4)17-32/h6-13,18-20,24,32H,14-17H2,1-5H3,(H2,28,29,34)/t19-,20+,24-/m0/s1 SMILES CC(C)NC(=O)NC1=CC=CC2=C1O[C@@H](CN(C)CC1=CC=CC=C1)[C@@H](C)CN([C@H](C)CO)C2=O MNX internals InChI (mnx) InChI=1/C27H38N4O4/c1-18(2)28-27(34)29-23-13-9-12-22-25(23)35-24(16-30(5)15-21-10-7-6-8-11-21)19(3)14-31(26(22)33)20(4)17-32/h6-13,18-20,24,32H,14-17H2,1-5H3,(H2,28,29,34)/t19-,20+,24-/m0/s1 SMILES (mnx) [CH3:1][CH:18]([CH3:2])[N:28]=[C:27]([NH:29][C:23]1=[CH:13][CH:9]=[CH:12][C:22]2=[C:25]1[O:35][C@@H:24]([CH2:16][N:30]([CH3:5])[CH2:15][C:21]1=[CH:10][CH:7]=[CH:6][CH:8]=[CH:11]1)[C@@H:19]([CH3:3])[CH2:14][N:31]([C@H:20]([CH3:4])[CH2:17][OH:32])[C:26]2=[O:33])[OH:34]

Parent-child relations graph

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