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Gemigliptin metabolite521

PropertiesImage
MNX_IDMNXM1594603 Image of MNXM1594603
referencevmhM:gemim521
vmhM:gemim521
formulaC18H20F8N5O4
global charge1
mol weight522.373
InChIKeyFBOKCEZCPLSLFJ-JAMJFVKNSA-O
InChIInChI=1S/C18H19F8N5O4/c19-16(20)3-1-10(32)31(15(16)35)13(34)8(27)5-11(33)30-4-2-7-9(6-30)28-14(18(24,25)26)29-12(7)17(21,22)23/h8,13,15,34-35H,1-6,27H2/p+1/t8-,13?,15?/m0/s1
SMILES[NH3+][C@@H](CC(=O)N1CCc2c(nc(C(F)(F)F)nc2C(F)(F)F)C1)C(O)N1C(=O)CCC(F)(F)C1O
MNX internals
InChI (mnx)InChI=1/C18H19F8N5O4/c19-16(20)3-1-10(32)31(15(16)35)13(34)8(27)5-11(33)30-4-2-7-9(6-30)28-14(18(24,25)26)29-12(7)17(21,22)23/h8,13,15,34-35H,1-6,27H2/t8-,13?,15?/m0/s1 Image of MNXM1594603
SMILES (mnx)[CH2:1]1[CH2:3][C:16]([F:19])([F:20])[CH:15]([OH:35])[N:31]([CH:13]([C@H:8]([CH2:5][C:11]([N:30]2[CH2:4][CH2:2][c:7]3[c:9]([n:28][c:14]([C:18]([F:24])([F:25])[F:26])[n:29][c:12]3[C:17]([F:21])([F:22])[F:23])[CH2:6]2)=[O:33])[NH2:27])[OH:34])[C:10]1=[O:32]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

vmhM:gemim521
vmhM:gemim521
vmhmetabolite:gemim521
vmhmetabolite:gemim521
FBOKCEZCPLSLFJ-JAMJFVKNSA-O 		Gemigliptin metabolite521

vmhM:M_gemim521 		secondary/obsolete/fantasy identifier