1-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea

Properties Image MNX_ID MNXM339542 reference chebi:108899 formula C28H40N4O4 global charge 0 mol weight 496.652 InChIKey ZPQZMRPPCAYKJS-YZIHRLCOSA-N InChI InChI=1S/C28H40N4O4/c1-19(2)29-28(35)30-24-11-12-25-23(13-24)14-27(34)32(21(4)18-33)15-20(3)26(36-25)17-31(5)16-22-9-7-6-8-10-22/h6-13,19-21,26,33H,14-18H2,1-5H3,(H2,29,30,35)/t20-,21+,26-/m1/s1 SMILES CC(C)NC(=O)NC1=CC2=C(C=C1)O[C@H](CN(C)CC1=CC=CC=C1)[C@H](C)CN([C@@H](C)CO)C(=O)C2 MNX internals InChI (mnx) InChI=1/C28H40N4O4/c1-19(2)29-28(35)30-24-11-12-25-23(13-24)14-27(34)32(21(4)18-33)15-20(3)26(36-25)17-31(5)16-22-9-7-6-8-10-22/h6-13,19-21,26,33H,14-18H2,1-5H3,(H2,29,30,35)/t20-,21+,26-/m1/s1 SMILES (mnx) [CH3:1][CH:19]([CH3:2])[N:29]=[C:28]([NH:30][C:24]1=[CH:13][C:23]2=[C:25]([CH:12]=[CH:11]1)[O:36][C@H:26]([CH2:17][N:31]([CH3:5])[CH2:16][C:22]1=[CH:9][CH:7]=[CH:6][CH:8]=[CH:10]1)[C@H:20]([CH3:3])[CH2:15][N:32]([C@@H:21]([CH3:4])[CH2:18][OH:33])[C:27](=[O:34])[CH2:14]2)[OH:35]

Parent-child relations graph

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