1-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyanilino)-oxomethyl]amino]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-phenylurea

Properties Image MNX_ID MNXM341493 reference chebi:94932 formula C32H39N5O6 global charge 0 mol weight 589.693 InChIKey NBMYFHNRSCNDIP-IHMCZWCLSA-N InChI InChI=1S/C32H39N5O6/c1-21-18-37(22(2)20-38)30(39)17-23-16-26(34-31(40)33-25-10-13-27(42-4)14-11-25)12-15-28(23)43-29(21)19-36(3)32(41)35-24-8-6-5-7-9-24/h5-16,21-22,29,38H,17-20H2,1-4H3,(H,35,41)(H2,33,34,40)/t21-,22-,29+/m0/s1 SMILES COC1=CC=C(NC(=O)NC2=CC3=C(C=C2)O[C@H](CN(C)C(=O)NC2=CC=CC=C2)[C@@H](C)CN([C@@H](C)CO)C(=O)C3)C=C1 MNX internals InChI (mnx) InChI=1/C32H39N5O6/c1-21-18-37(22(2)20-38)30(39)17-23-16-26(34-31(40)33-25-10-13-27(42-4)14-11-25)12-15-28(23)43-29(21)19-36(3)32(41)35-24-8-6-5-7-9-24/h5-16,21-22,29,38H,17-20H2,1-4H3,(H,35,41)(H2,33,34,40)/t21-,22-,29+/m0/s1 SMILES (mnx) [CH3:1][C@H:21]1[CH2:18][N:37]([C@@H:22]([CH3:2])[CH2:20][OH:38])[C:30](=[O:39])[CH2:17][C:23]2=[C:28]([CH:15]=[CH:12][C:26]([NH:34][C:31]([NH:33][C:25]3=[CH:11][CH:14]=[C:27]([O:42][CH3:4])[CH:13]=[CH:10]3)=[O:40])=[CH:16]2)[O:43][C@@H:29]1[CH2:19][N:36]([CH3:3])[C:32](=[N:35][C:24]1=[CH:8][CH:6]=[CH:5][CH:7]=[CH:9]1)[OH:41]

Parent-child relations graph

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