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

Properties Image MNX_ID MNXM341472 reference chebi:124793 formula C32H41N5O5 global charge 0 mol weight 575.71 InChIKey JDCHXCNXENSYDX-DKGMKSHISA-N InChI InChI=1S/C32H41N5O5/c1-20(2)33-32(41)36(5)18-29-21(3)17-37(22(4)19-38)30(39)16-24-15-25(13-14-28(24)42-29)34-31(40)35-27-12-8-10-23-9-6-7-11-26(23)27/h6-15,20-22,29,38H,16-19H2,1-5H3,(H,33,41)(H2,34,35,40)/t21-,22+,29+/m0/s1 SMILES CC(C)NC(=O)N(C)C[C@H]1OC2=C(C=C(NC(=O)NC3=CC=CC4=CC=CC=C43)C=C2)CC(=O)N([C@H](C)CO)C[C@@H]1C MNX internals InChI (mnx) InChI=1/C32H41N5O5/c1-20(2)33-32(41)36(5)18-29-21(3)17-37(22(4)19-38)30(39)16-24-15-25(13-14-28(24)42-29)34-31(40)35-27-12-8-10-23-9-6-7-11-26(23)27/h6-15,20-22,29,38H,16-19H2,1-5H3,(H,33,41)(H2,34,35,40)/t21-,22+,29+/m0/s1 SMILES (mnx) [CH3:1][CH:20]([CH3:2])[N:33]=[C:32]([N:36]([CH3:5])[CH2:18][C@@H:29]1[C@@H:21]([CH3:3])[CH2:17][N:37]([C@H:22]([CH3:4])[CH2:19][OH:38])[C:30](=[O:39])[CH2:16][C:24]2=[C:28]([CH:14]=[CH:13][C:25]([NH:34][C:31](=[N:35][C:27]3=[CH:12][CH:8]=[CH:10][C:23]4=[CH:9][CH:6]=[CH:7][CH:11]=[C:26]43)[OH:40])=[CH:15]2)[O:42]1)[OH:41]

Parent-child relations graph

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