1-[[(2S,3S)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-3-(3,5-dimethyl-4-isoxazolyl)-1-methylurea

Properties Image MNX_ID MNXM341539 reference chebi:108869 formula C25H37N5O5 global charge 0 mol weight 487.601 InChIKey GPPKFMUWSJEKJP-PONJGIIJSA-N InChI InChI=1S/C25H37N5O5/c1-15-12-30(16(2)14-31)23(32)11-19-10-20(28(5)6)8-9-21(19)34-22(15)13-29(7)25(33)26-24-17(3)27-35-18(24)4/h8-10,15-16,22,31H,11-14H2,1-7H3,(H,26,33)/t15-,16-,22+/m0/s1 SMILES CC1=NOC(C)=C1NC(=O)N(C)C[C@H]1OC2=C(C=C(N(C)C)C=C2)CC(=O)N([C@@H](C)CO)C[C@@H]1C MNX internals InChI (mnx) InChI=1/C25H37N5O5/c1-15-12-30(16(2)14-31)23(32)11-19-10-20(28(5)6)8-9-21(19)34-22(15)13-29(7)25(33)26-24-17(3)27-35-18(24)4/h8-10,15-16,22,31H,11-14H2,1-7H3,(H,26,33)/t15-,16-,22+/m0/s1 SMILES (mnx) [CH3:1][C@H:15]1[CH2:12][N:30]([C@@H:16]([CH3:2])[CH2:14][OH:31])[C:23](=[O:32])[CH2:11][C:19]2=[C:21]([CH:9]=[CH:8][C:20]([N:28]([CH3:5])[CH3:6])=[CH:10]2)[O:34][C@@H:22]1[CH2:13][N:29]([CH3:7])[C:25](=[N:26][C:24]1=[C:18]([CH3:4])[O:35][N:27]=[C:17]1[CH3:3])[OH:33]

Parent-child relations graph

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