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LSM-39047

PropertiesImage
MNX_IDMNXM530065 Image of MNXM530065
referencechebi:127489
formulaC25H33FN2O4S
global charge0
mol weight476.614
InChIKeyYOCBOZXTNPBXJL-KHCICDEESA-N
InChIInChI=1S/C25H33FN2O4S/c1-5-8-20-11-12-25-23(13-20)32-24(16-27(4)15-21-9-6-7-10-22(21)26)18(2)14-28(19(3)17-29)33(25,30)31/h5-13,18-19,24,29H,14-17H2,1-4H3/t18-,19-,24-/m1/s1
SMILESCC=CC1=CC2=C(C=C1)S(=O)(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)CC1=CC=CC=C1F)O2
MNX internals
InChI (mnx)InChI=1/C25H33FN2O4S/c1-5-8-20-11-12-25-23(13-20)32-24(16-27(4)15-21-9-6-7-10-22(21)26)18(2)14-28(19(3)17-29)33(25,30)31/h5-13,18-19,24,29H,14-17H2,1-4H3/b8-5?/t18-,19-,24-/m1/s1 Image of MNXM530065
SMILES (mnx)[CH3:1][CH:5]=[CH:8][C:20]1=[CH:13][C:23]2=[C:25]([CH:12]=[CH:11]1)[S:33](=[O:30])(=[O:31])[N:28]([C@H:19]([CH3:3])[CH2:17][OH:29])[CH2:14][C@@H:18]([CH3:2])[C@@H:24]([CH2:16][N:27]([CH3:4])[CH2:15][C:21]1=[CH:9][CH:6]=[CH:7][CH:10]=[C:22]1[F:26])[O:32]2
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:127489
chebi:127489
YOCBOZXTNPBXJL-KHCICDEESA-N 		LSM-39047