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LSM-25452

PropertiesImage
MNX_IDMNXM529263 Image of MNXM529263
referencechebi:114020
formulaC24H30FN3O5S
global charge0
mol weight491.585
InChIKeyHDXAYIIPFHKWCX-CBGDNZLLSA-N
InChIInChI=1S/C24H30FN3O5S/c1-5-8-18-11-19-23(26-12-18)33-21(16(2)13-28(24(19)30)17(3)15-29)14-27(4)34(31,32)22-10-7-6-9-20(22)25/h5-12,16-17,21,29H,13-15H2,1-4H3/t16-,17-,21-/m1/s1
SMILESCC=CC1=CN=C2O[C@H](CN(C)S(=O)(=O)C3=CC=CC=C3F)[C@H](C)CN([C@H](C)CO)C(=O)C2=C1
MNX internals
InChI (mnx)InChI=1/C24H30FN3O5S/c1-5-8-18-11-19-23(26-12-18)33-21(16(2)13-28(24(19)30)17(3)15-29)14-27(4)34(31,32)22-10-7-6-9-20(22)25/h5-12,16-17,21,29H,13-15H2,1-4H3/b8-5?/t16-,17-,21-/m1/s1 Image of MNXM529263
SMILES (mnx)[CH3:1][CH:5]=[CH:8][C:18]1=[CH:11][C:19]2=[C:23]([N:26]=[CH:12]1)[O:33][C@H:21]([CH2:14][N:27]([CH3:4])[S:34]([C:22]1=[CH:10][CH:7]=[CH:6][CH:9]=[C:20]1[F:25])(=[O:31])=[O:32])[C@H:16]([CH3:2])[CH2:13][N:28]([C@H:17]([CH3:3])[CH2:15][OH:29])[C:24]2=[O:30]
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:114020
chebi:114020
HDXAYIIPFHKWCX-CBGDNZLLSA-N 		LSM-25452