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CHEBI:43212 - (2S)-2-AMINO-2-BENZYL-3-HYDROXYPROPYL 3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-5-[METHYL(METHYLSULFONYL)AMINO]BENZOATE

Default Structure
ChEBI IDCHEBI:43212
ChEBI Name(2S)-2-AMINO-2-BENZYL-3-HYDROXYPROPYL 3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-5-[METHYL(METHYLSULFONYL)AMINO]BENZOATE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC28H32FN3O6S
Net Charge0
Average Mass557.644
Monoisotopic Mass557.19958
SMILES[H]OC([H])([H])[C@](N([H])[H])(C([H])([H])OC(=O)c1c([H])c(C(=O)N([H])[C@@]([H])(c2c([H])c([H])c(F)c([H])c2[H])C([H])([H])[H])c([H])c(N(C([H])([H])[H])S(=O)(=O)C([H])([H])[H])c1[H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H]
InChIInChI=1S/C28H32FN3O6S/c1-19(21-9-11-24(29)12-10-21)31-26(34)22-13-23(15-25(14-22)32(2)39(3,36)37)27(35)38-18-28(30,17-33)16-20-7-5-4-6-8-20/h4-15,19,33H,16-18,30H2,1-3H3,(H,31,34)/t19-,28+/m1/s1
InChIKeyJVYHUOIVVLDSHT-GDJIYFAZSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-AMINO-2-BENZYL-3-HYDROXYPROPYL 3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-5-[METHYL(METHYLSULFONYL)AMINO]BENZOATE (CHEBI:43212) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2S)-2-AMINO-2-BENZYL-3-HYDROXYPROPYL 3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-5-[METHYL(METHYLSULFONYL)AMINO]BENZOATEPDBeChem
(2S)-2-amino-2-benzyl-3-hydroxypropyl 3-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-[methyl(methylsulfonyl)amino]benzoatePDBeChem
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