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LSM-14603

PropertiesImage
MNX_IDMNXM528879 Image of MNXM528879
referencechebi:103259
formulaC25H24F2N4O3S
global charge0
mol weight498.555
InChIKeyZDIAMMWGBAVDPO-RPHTVSPISA-N
InChIInChI=1S/C25H24F2N4O3S/c1-2-3-14-4-7-20-21-17(12-30(20)24(14)34)18(13-32)22(23(33)29-25-28-8-9-35-25)31(21)11-15-10-16(26)5-6-19(15)27/h2-10,17-18,21-22,32H,11-13H2,1H3,(H,28,29,33)/t17-,18-,21+,22-/m1/s1
SMILESCC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@@H](CO)[C@H](C(=O)NC1=NC=CS1)N3CC1=C(F)C=CC(F)=C1
MNX internals
InChI (mnx)InChI=1/C25H24F2N4O3S/c1-2-3-14-4-7-20-21-17(12-30(20)24(14)34)18(13-32)22(23(33)29-25-28-8-9-35-25)31(21)11-15-10-16(26)5-6-19(15)27/h2-10,17-18,21-22,32H,11-13H2,1H3,(H,28,29,33)/b3-2?/t17-,18-,21+,22-/m1/s1 Image of MNXM528879
SMILES (mnx)[CH3:1][CH:2]=[CH:3][C:14]1=[CH:4][CH:7]=[C:20]2[C@@H:21]3[C@H:17]([CH2:12][N:30]2[C:24]1=[O:34])[C@@H:18]([CH2:13][OH:32])[C@H:22]([C:23](=[N:29][C:25]1=[N:28][CH:8]=[CH:9][S:35]1)[OH:33])[N:31]3[CH2:11][C:15]1=[C:19]([F:27])[CH:6]=[CH:5][C:16]([F:26])=[CH:10]1
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:103259
chebi:103259
ZDIAMMWGBAVDPO-RPHTVSPISA-N 		LSM-14603