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4-{[6-endo-amino-6-exo-benzoyl-5-exo-phenylnorbornan-2-yl]oxy}-4-oxobutanoic acid

PropertiesImage
MNX_IDMNXM101954 Image of MNXM101954
referencechebi:71549
formulaC24H25NO5
global charge0
mol weight407.466
InChIKeyYYUSZVUKKRMJFD-HAHIRZQVSA-N
InChIInChI=1S/C24H25NO5/c25-24(23(29)16-9-5-2-6-10-16)18-13-17(22(24)15-7-3-1-4-8-15)14-19(18)30-21(28)12-11-20(26)27/h1-10,17-19,22H,11-14,25H2,(H,26,27)/t17-,18+,19?,22-,24-/m1/s1
SMILESN[C@@]1(C(=O)C2=CC=CC=C2)[C@H](C2=CC=CC=C2)[C@H]2CC(OC(=O)CCC(=O)O)[C@@H]1C2
MNX internals
InChI (mnx)InChI=1/C24H25NO5/c25-24(23(29)16-9-5-2-6-10-16)18-13-17(22(24)15-7-3-1-4-8-15)14-19(18)30-21(28)12-11-20(26)27/h1-10,17-19,22H,11-14,25H2,(H,26,27)/t17-,18+,19?,22-,24-/m1/s1 Image of MNXM101954
SMILES (mnx)[CH:1]1=[CH:3][CH:7]=[C:15]([C@@H:22]2[C@@H:17]3[CH2:13][C@@H:18]([CH:19]([O:30][C:21]([CH2:12][CH2:11][C:20](=[O:26])[OH:27])=[O:28])[CH2:14]3)[C@@:24]2([C:23]([C:16]2=[CH:9][CH:5]=[CH:2][CH:6]=[CH:10]2)=[O:29])[NH2:25])[CH:8]=[CH:4]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:71549
chebi:71549
YYUSZVUKKRMJFD-HAHIRZQVSA-N
4-{[6-endo-amino-6-exo-benzoyl-5-exo-phenylnorbornan-2-yl]oxy}-4-oxobutanoic acid
4-{[(1R,2S,4R,5S,6S)-6-amino-6-benzoyl-5-phenylbicyclo[2.2.1]hept-2-yl]oxy}-4-oxobutanoic acid