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

Properties Image MNX_ID MNXM341149 reference chebi:124720 formula C31H39N5O5 global charge 0 mol weight 561.683 InChIKey MWRGLXXMTKHKJE-GNMOFYLKSA-N InChI InChI=1S/C31H39N5O5/c1-19(2)32-31(40)35(5)17-27-20(3)16-36(21(4)18-37)29(38)24-13-9-15-26(28(24)41-27)34-30(39)33-25-14-8-11-22-10-6-7-12-23(22)25/h6-15,19-21,27,37H,16-18H2,1-5H3,(H,32,40)(H2,33,34,39)/t20-,21-,27+/m1/s1 SMILES CC(C)NC(=O)N(C)C[C@@H]1OC2=C(C=CC=C2NC(=O)NC2=CC=CC3=CC=CC=C32)C(=O)N([C@H](C)CO)C[C@H]1C MNX internals InChI (mnx) InChI=1/C31H39N5O5/c1-19(2)32-31(40)35(5)17-27-20(3)16-36(21(4)18-37)29(38)24-13-9-15-26(28(24)41-27)34-30(39)33-25-14-8-11-22-10-6-7-12-23(22)25/h6-15,19-21,27,37H,16-18H2,1-5H3,(H,32,40)(H2,33,34,39)/t20-,21-,27+/m1/s1 SMILES (mnx) [CH3:1][CH:19]([CH3:2])[N:32]=[C:31]([N:35]([CH3:5])[CH2:17][C@H:27]1[C@H:20]([CH3:3])[CH2:16][N:36]([C@H:21]([CH3:4])[CH2:18][OH:37])[C:29](=[O:38])[C:24]2=[C:28]([C:26]([NH:34][C:30](=[N:33][C:25]3=[CH:14][CH:8]=[CH:11][C:22]4=[CH:10][CH:6]=[CH:7][CH:12]=[C:23]43)[OH:39])=[CH:15][CH:9]=[CH:13]2)[O:41]1)[OH:40]

Parent-child relations graph

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