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LSM-13423

PropertiesImage
MNX_IDMNXM528643 Image of MNXM528643
referencechebi:102063
formulaC25H31F3N2O5S
global charge0
mol weight528.593
InChIKeyYLVWKLWKMUPGPR-PMAPCBKXSA-N
InChIInChI=1S/C25H31F3N2O5S/c1-17-12-30(18(2)14-31)24(32)22-11-7-6-10-21(22)20-9-5-4-8-19(20)15-35-23(17)13-29(3)36(33,34)16-25(26,27)28/h4-11,17-18,23,31H,12-16H2,1-3H3/t17-,18-,23-/m1/s1
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)C2=CC=CC=C2C2=CC=CC=C2CO[C@@H]1CN(C)S(=O)(=O)CC(F)(F)F
MNX internals
InChI (mnx)InChI=1/C25H31F3N2O5S/c1-17-12-30(18(2)14-31)24(32)22-11-7-6-10-21(22)20-9-5-4-8-19(20)15-35-23(17)13-29(3)36(33,34)16-25(26,27)28/h4-11,17-18,23,31H,12-16H2,1-3H3/t17-,18-,23-/m1/s1 Image of MNXM528643
SMILES (mnx)[CH3:1][C@@H:17]1[CH2:12][N:30]([C@H:18]([CH3:2])[CH2:14][OH:31])[C:24](=[O:32])[C:22]2=[CH:11][CH:7]=[CH:6][CH:10]=[C:21]2[C:20]2=[CH:9][CH:5]=[CH:4][CH:8]=[C:19]2[CH2:15][O:35][C@@H:23]1[CH2:13][N:29]([CH3:3])[S:36]([CH2:16][C:25]([F:26])([F:27])[F:28])(=[O:33])=[O:34]
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:102063
chebi:102063
YLVWKLWKMUPGPR-PMAPCBKXSA-N 		LSM-13423