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

Properties Image MNX_ID MNXM341338 reference chebi:124476 formula C35H45N5O5 global charge 0 mol weight 615.775 InChIKey ICEMUJZXENLAMO-XNSHOJTPSA-N InChI InChI=1S/C35H45N5O5/c1-23-20-40(24(2)22-41)33(42)19-26-18-28(37-34(43)36-27-12-5-4-6-13-27)16-17-31(26)45-32(23)21-39(3)35(44)38-30-15-9-11-25-10-7-8-14-29(25)30/h7-11,14-18,23-24,27,32,41H,4-6,12-13,19-22H2,1-3H3,(H,38,44)(H2,36,37,43)/t23-,24+,32-/m0/s1 SMILES C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)NC2=CC=CC3=CC=CC=C32)OC2=C(C=C(NC(=O)NC3CCCCC3)C=C2)CC1=O MNX internals InChI (mnx) InChI=1/C35H45N5O5/c1-23-20-40(24(2)22-41)33(42)19-26-18-28(37-34(43)36-27-12-5-4-6-13-27)16-17-31(26)45-32(23)21-39(3)35(44)38-30-15-9-11-25-10-7-8-14-29(25)30/h7-11,14-18,23-24,27,32,41H,4-6,12-13,19-22H2,1-3H3,(H,38,44)(H2,36,37,43)/t23-,24+,32-/m0/s1 SMILES (mnx) [CH3:1][C@H:23]1[CH2:20][N:40]([C@H:24]([CH3:2])[CH2:22][OH:41])[C:33](=[O:42])[CH2:19][C:26]2=[C:31]([CH:17]=[CH:16][C:28]([NH:37][C:34](=[N:36][CH:27]3[CH2:12][CH2:5][CH2:4][CH2:6][CH2:13]3)[OH:43])=[CH:18]2)[O:45][C@H:32]1[CH2:21][N:39]([CH3:3])[C:35](=[N:38][C:30]1=[CH:15][CH:9]=[CH:11][C:25]2=[CH:10][CH:7]=[CH:8][CH:14]=[C:29]21)[OH:44]

Parent-child relations graph

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