1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea

Properties Image MNX_ID MNXM341265 reference chebi:113648 formula C27H37N5O5 global charge 0 mol weight 511.623 InChIKey YWOLVGYTMULQAH-GLDPYIMESA-N InChI InChI=1S/C27H37N5O5/c1-17(2)28-26(35)29-21-11-12-23-22(13-21)25(34)32(19(4)16-33)14-18(3)24(37-23)15-31(5)27(36)30-20-9-7-6-8-10-20/h6-13,17-19,24,33H,14-16H2,1-5H3,(H,30,36)(H2,28,29,35)/t18-,19+,24-/m0/s1 SMILES CC(C)NC(=O)NC1=CC2=C(C=C1)O[C@@H](CN(C)C(=O)NC1=CC=CC=C1)[C@@H](C)CN([C@H](C)CO)C2=O MNX internals InChI (mnx) InChI=1/C27H37N5O5/c1-17(2)28-26(35)29-21-11-12-23-22(13-21)25(34)32(19(4)16-33)14-18(3)24(37-23)15-31(5)27(36)30-20-9-7-6-8-10-20/h6-13,17-19,24,33H,14-16H2,1-5H3,(H,30,36)(H2,28,29,35)/t18-,19+,24-/m0/s1 SMILES (mnx) [CH3:1][CH:17]([CH3:2])[N:28]=[C:26]([NH:29][C:21]1=[CH:13][C:22]2=[C:23]([CH:12]=[CH:11]1)[O:37][C@@H:24]([CH2:15][N:31]([CH3:5])[C:27](=[N:30][C:20]1=[CH:9][CH:7]=[CH:6][CH:8]=[CH:10]1)[OH:36])[C@@H:18]([CH3:3])[CH2:14][N:32]([C@H:19]([CH3:4])[CH2:16][OH:33])[C:25]2=[O:34])[OH:35]

Parent-child relations graph

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