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CHEBI:43592 - 6-(4'-FLUORO-BIPHENYL-4-YL)-4-(3-METHYL-1-PHENYLCARBAMOYL-BUTYLCARBAMOYL)-2-[4-(1-OXO-1,3-DIHYDRO-ISOINDOL-2-YL)-BUTYL]-HEXANOIC ACID

Default Structure
ChEBI IDCHEBI:43592
ChEBI Name6-(4'-FLUORO-BIPHENYL-4-YL)-4-(3-METHYL-1-PHENYLCARBAMOYL-BUTYLCARBAMOYL)-2-[4-(1-OXO-1,3-DIHYDRO-ISOINDOL-2-YL)-BUTYL]-HEXANOIC ACID
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC43H48FN3O5
Net Charge0
Average Mass705.871
Monoisotopic Mass705.35780
SMILES[H]OC(=O)[C@@]([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C(=O)c2c([H])c([H])c([H])c([H])c2C1([H])[H])C([H])([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])c1c([H])c([H])c([H])c([H])c1[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])c1c([H])c([H])c(-c2c([H])c([H])c(F)c([H])c2[H])c([H])c1[H]
InChIInChI=1S/C43H48FN3O5/c1-29(2)26-39(41(49)45-37-12-4-3-5-13-37)46-40(48)33(20-17-30-15-18-31(19-16-30)32-21-23-36(44)24-22-32)27-34(43(51)52)10-8-9-25-47-28-35-11-6-7-14-38(35)42(47)50/h3-7,11-16,18-19,21-24,29,33-34,39H,8-10,17,20,25-28H2,1-2H3,(H,45,49)(H,46,48)(H,51,52)/t33-,34+,39+/m1/s1
InChIKeyWSHMSPGZDPZGRV-GZYXPWJKSA-N
ChEBI Ontology
Outgoing Relation(s)
6-(4'-FLUORO-BIPHENYL-4-YL)-4-(3-METHYL-1-PHENYLCARBAMOYL-BUTYLCARBAMOYL)-2-[4-(1-OXO-1,3-DIHYDRO-ISOINDOL-2-YL)-BUTYL]-HEXANOIC ACID (CHEBI:43592) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2S,4R)-6-(4'-fluorobiphenyl-4-yl)-4-{[(1S)-3-methyl-1-(phenylcarbamoyl)butyl]carbamoyl}-2-[4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butyl]hexanoic acidPDBeChem
6-(4'-FLUORO-BIPHENYL-4-YL)-4-(3-METHYL-1-PHENYLCARBAMOYL-BUTYLCARBAMOYL)-2-[4-(1-OXO-1,3-DIHYDRO-ISOINDOL-2-YL)-BUTYL]-HEXANOIC ACIDPDBeChem
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