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LSM-11499

PropertiesImage
MNX_IDMNXM528308 Image of MNXM528308
referencechebi:100120
formulaC28H34F3N3O5S
global charge0
mol weight581.657
InChIKeyBZAPUCLBFKATKI-YDIMBITNSA-N
InChIInChI=1S/C28H34F3N3O5S/c1-18-13-34(19(2)15-35)27(36)26-25(22-11-7-8-12-23(22)33(26)4)21-10-6-5-9-20(21)16-39-24(18)14-32(3)40(37,38)17-28(29,30)31/h5-12,18-19,24,35H,13-17H2,1-4H3/t18-,19+,24-/m1/s1
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)CC(F)(F)F)C1=CC=CC=C1N2C
MNX internals
InChI (mnx)InChI=1/C28H34F3N3O5S/c1-18-13-34(19(2)15-35)27(36)26-25(22-11-7-8-12-23(22)33(26)4)21-10-6-5-9-20(21)16-39-24(18)14-32(3)40(37,38)17-28(29,30)31/h5-12,18-19,24,35H,13-17H2,1-4H3/t18-,19+,24-/m1/s1 Image of MNXM528308
SMILES (mnx)[CH3:1][C@@H:18]1[CH2:13][N:34]([C@@H:19]([CH3:2])[CH2:15][OH:35])[C:27](=[O:36])[C:26]2=[C:25]([C:21]3=[CH:10][CH:6]=[CH:5][CH:9]=[C:20]3[CH2:16][O:39][C@@H:24]1[CH2:14][N:32]([CH3:3])[S:40]([CH2:17][C:28]([F:29])([F:30])[F:31])(=[O:37])=[O:38])[C:22]1=[CH:11][CH:7]=[CH:8][CH:12]=[C:23]1[N:33]2[CH3:4]
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:100120
chebi:100120
BZAPUCLBFKATKI-YDIMBITNSA-N 		LSM-11499