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

PropertiesImage
MNX_IDMNXM341367 Image of MNXM341367
referencechebi:124908
formulaC28H36F3N5O5
global charge0
mol weight579.62
InChIKeyGUUFQQDCAZBWHX-QZTZHPFYSA-N
InChIInChI=1S/C28H36F3N5O5/c1-16(2)32-27(40)35(5)14-24-17(3)13-36(18(4)15-37)25(38)22-12-21(10-11-23(22)41-24)34-26(39)33-20-8-6-19(7-9-20)28(29,30)31/h6-12,16-18,24,37H,13-15H2,1-5H3,(H,32,40)(H2,33,34,39)/t17-,18-,24-/m1/s1
SMILESCC(C)NC(=O)N(C)C[C@H]1OC2=C(C=C(NC(=O)NC3=CC=C(C(F)(F)F)C=C3)C=C2)C(=O)N([C@H](C)CO)C[C@H]1C
MNX internals
InChI (mnx)InChI=1/C28H36F3N5O5/c1-16(2)32-27(40)35(5)14-24-17(3)13-36(18(4)15-37)25(38)22-12-21(10-11-23(22)41-24)34-26(39)33-20-8-6-19(7-9-20)28(29,30)31/h6-12,16-18,24,37H,13-15H2,1-5H3,(H,32,40)(H2,33,34,39)/t17-,18-,24-/m1/s1 Image of MNXM341367
SMILES (mnx)[CH3:1][CH:16]([CH3:2])[N:32]=[C:27]([N:35]([CH3:5])[CH2:14][C@@H:24]1[C@H:17]([CH3:3])[CH2:13][N:36]([C@H:18]([CH3:4])[CH2:15][OH:37])[C:25](=[O:38])[C:22]2=[C:23]([CH:11]=[CH:10][C:21]([N:34]=[C:26]([NH:33][C:20]3=[CH:9][CH:7]=[C:19]([C:28]([F:29])([F:30])[F:31])[CH:6]=[CH:8]3)[OH:39])=[CH:12]2)[O:41]1)[OH:40]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:124908
chebi:124908
GUUFQQDCAZBWHX-QZTZHPFYSA-N
1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea