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CHEBI:40212 - 3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-5-[METHYL(METHYLSULFONYL)AMINO]BENZYL ALPHA-METHYL-D-PHENYLALANINATE

Default Structure
ChEBI IDCHEBI:40212
ChEBI Name3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-5-[METHYL(METHYLSULFONYL)AMINO]BENZYL ALPHA-METHYL-D-PHENYLALANINATE
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC28H32FN3O5S
Net Charge0
Average Mass541.645
Monoisotopic Mass541.20467
SMILES[H]c1c([H])c([H])c(C([H])([H])[C@](C(=O)OC([H])([H])c2c([H])c(C(=O)N([H])[C@@]([H])(c3c([H])c([H])c(F)c([H])c3[H])C([H])([H])[H])c([H])c(N(C([H])([H])[H])S(=O)(=O)C([H])([H])[H])c2[H])(N([H])[H])C([H])([H])[H])c([H])c1[H]
InChIInChI=1S/C28H32FN3O5S/c1-19(22-10-12-24(29)13-11-22)31-26(33)23-14-21(15-25(16-23)32(3)38(4,35)36)18-37-27(34)28(2,30)17-20-8-6-5-7-9-20/h5-16,19H,17-18,30H2,1-4H3,(H,31,33)/t19-,28-/m1/s1
InChIKeyPTQRJCCBUDSHTQ-WHLCRQNOSA-N
ChEBI Ontology
Outgoing Relation(s)
3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-5-[METHYL(METHYLSULFONYL)AMINO]BENZYL ALPHA-METHYL-D-PHENYLALANINATE (CHEBI:40212) is a unclassifieds (CHEBI:27189)
Synonyms  Source
3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-5-[METHYL(METHYLSULFONYL)AMINO]BENZYL ALPHA-METHYL-D-PHENYLALANINATEPDBeChem
3-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-[methyl(methylsulfonyl)amino]benzyl alpha-methyl-D-phenylalaninatePDBeChem
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