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LSM-12852

PropertiesImage
MNX_IDMNXM528544 Image of MNXM528544
referencechebi:101489
formulaC31H34F3N3O4
global charge0
mol weight569.624
InChIKeyHSJIFMVKIOATEF-GTNJKRJXSA-N
InChIInChI=1S/C31H34F3N3O4/c1-20-16-37(21(2)18-38)29(39)27-14-7-6-13-26(27)25-12-5-4-9-22(25)19-41-28(20)17-36(3)30(40)35-24-11-8-10-23(15-24)31(32,33)34/h4-15,20-21,28,38H,16-19H2,1-3H3,(H,35,40)/t20-,21+,28-/m0/s1
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)NC2=CC=CC(C(F)(F)F)=C2)OCC2=CC=CC=C2C2=CC=CC=C2C1=O
MNX internals
InChI (mnx)InChI=1/C31H34F3N3O4/c1-20-16-37(21(2)18-38)29(39)27-14-7-6-13-26(27)25-12-5-4-9-22(25)19-41-28(20)17-36(3)30(40)35-24-11-8-10-23(15-24)31(32,33)34/h4-15,20-21,28,38H,16-19H2,1-3H3,(H,35,40)/t20-,21+,28-/m0/s1 Image of MNXM528544
SMILES (mnx)[CH3:1][C@H:20]1[CH2:16][N:37]([C@H:21]([CH3:2])[CH2:18][OH:38])[C:29](=[O:39])[C:27]2=[CH:14][CH:7]=[CH:6][CH:13]=[C:26]2[C:25]2=[CH:12][CH:5]=[CH:4][CH:9]=[C:22]2[CH2:19][O:41][C@H:28]1[CH2:17][N:36]([CH3:3])[C:30](=[N:35][C:24]1=[CH:11][CH:8]=[CH:10][C:23]([C:31]([F:32])([F:33])[F:34])=[CH:15]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:101489
chebi:101489
HSJIFMVKIOATEF-GTNJKRJXSA-N 		LSM-12852