1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(1-naphthalenyl)urea

Properties Image MNX_ID MNXM339722 reference chebi:124678 formula C28H34N4O6S global charge 0 mol weight 554.669 InChIKey OUJIUWARBQHZER-OSWQYVSFSA-N InChI InChI=1S/C28H34N4O6S/c1-18-15-32(19(2)17-33)27(34)22-12-8-14-24(26(22)38-25(18)16-31(3)39(4,36)37)30-28(35)29-23-13-7-10-20-9-5-6-11-21(20)23/h5-14,18-19,25,33H,15-17H2,1-4H3,(H2,29,30,35)/t18-,19+,25+/m0/s1 SMILES C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(C)(=O)=O)OC2=C(C=CC=C2NC(=O)NC2=CC=CC3=CC=CC=C32)C1=O MNX internals InChI (mnx) InChI=1/C28H34N4O6S/c1-18-15-32(19(2)17-33)27(34)22-12-8-14-24(26(22)38-25(18)16-31(3)39(4,36)37)30-28(35)29-23-13-7-10-20-9-5-6-11-21(20)23/h5-14,18-19,25,33H,15-17H2,1-4H3,(H2,29,30,35)/t18-,19+,25+/m0/s1 SMILES (mnx) [CH3:1][C@H:18]1[CH2:15][N:32]([C@H:19]([CH3:2])[CH2:17][OH:33])[C:27](=[O:34])[C:22]2=[C:26]([C:24]([NH:30][C:28](=[N:29][C:23]3=[CH:13][CH:7]=[CH:10][C:20]4=[CH:9][CH:5]=[CH:6][CH:11]=[C:21]43)[OH:35])=[CH:14][CH:8]=[CH:12]2)[O:38][C@@H:25]1[CH2:16][N:31]([CH3:3])[S:39]([CH3:4])(=[O:36])=[O:37]

Parent-child relations graph

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