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LSM-10161

PropertiesImage
MNX_IDMNXM528071 Image of MNXM528071
referencechebi:98782
formulaC21H22FN3O4
global charge0
mol weight399.422
InChIKeyBBMUHFCQMOUBDR-IAAVTCLWSA-N
InChIInChI=1S/C21H22FN3O4/c1-23(2)21(29)18-14(11-26)16-10-24-15(4-3-5-17(24)27)19(18)25(16)20(28)12-6-8-13(22)9-7-12/h3-9,14,16,18-19,26H,10-11H2,1-2H3/t14-,16-,18+,19+/m0/s1
SMILESCN(C)C(=O)[C@@H]1[C@@H](CO)[C@@H]2CN3C(=O)C=CC=C3[C@H]1N2C(=O)C1=CC=C(F)C=C1
MNX internals
InChI (mnx)InChI=1/C21H22FN3O4/c1-23(2)21(29)18-14(11-26)16-10-24-15(4-3-5-17(24)27)19(18)25(16)20(28)12-6-8-13(22)9-7-12/h3-9,14,16,18-19,26H,10-11H2,1-2H3/t14-,16-,18+,19+/m0/s1 Image of MNXM528071
SMILES (mnx)[CH3:1][N:23]([CH3:2])[C:21]([C@@H:18]1[C@@H:14]([CH2:11][OH:26])[C@@H:16]2[CH2:10][N:24]3[C:15](=[CH:4][CH:3]=[CH:5][C:17]3=[O:27])[C@H:19]1[N:25]2[C:20]([C:12]1=[CH:7][CH:9]=[C:13]([F:22])[CH:8]=[CH:6]1)=[O:28])=[O:29]
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:98782
chebi:98782
BBMUHFCQMOUBDR-IAAVTCLWSA-N 		LSM-10161