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

Properties Image MNX_ID MNXM341147 reference chebi:113825 formula C28H39N5O6 global charge 0 mol weight 541.649 InChIKey IBFNJHBZCKBINA-IECBHUPTSA-N InChI InChI=1S/C28H39N5O6/c1-17(2)29-28(37)32(5)15-24-18(3)14-33(19(4)16-34)26(35)22-8-7-9-23(25(22)39-24)31-27(36)30-20-10-12-21(38-6)13-11-20/h7-13,17-19,24,34H,14-16H2,1-6H3,(H,29,37)(H2,30,31,36)/t18-,19-,24+/m1/s1 SMILES COC1=CC=C(NC(=O)NC2=CC=CC3=C2O[C@@H](CN(C)C(=O)NC(C)C)[C@H](C)CN([C@H](C)CO)C3=O)C=C1 MNX internals InChI (mnx) InChI=1/C28H39N5O6/c1-17(2)29-28(37)32(5)15-24-18(3)14-33(19(4)16-34)26(35)22-8-7-9-23(25(22)39-24)31-27(36)30-20-10-12-21(38-6)13-11-20/h7-13,17-19,24,34H,14-16H2,1-6H3,(H,29,37)(H2,30,31,36)/t18-,19-,24+/m1/s1 SMILES (mnx) [CH3:1][CH:17]([CH3:2])[N:29]=[C:28]([N:32]([CH3:5])[CH2:15][C@H:24]1[C@H:18]([CH3:3])[CH2:14][N:33]([C@H:19]([CH3:4])[CH2:16][OH:34])[C:26](=[O:35])[C:22]2=[C:25]([C:23]([N:31]=[C:27]([NH:30][C:20]3=[CH:11][CH:13]=[C:21]([O:38][CH3:6])[CH:12]=[CH:10]3)[OH:36])=[CH:9][CH:7]=[CH:8]2)[O:39]1)[OH:37]

Parent-child relations graph

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