CHEBI:125219 - 3-[(4S,5S)-2-[4-(3-hydroxypropoxy)phenyl]-4-[oxo(1-piperidinyl)methyl]-5-phenyl-5H-oxazol-4-yl]propanoic acid tert-butyl ester

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ChEBI Name 3-[(4S,5S)-2-[4-(3-hydroxypropoxy)phenyl]-4-[oxo(1-piperidinyl)methyl]-5-phenyl-5H-oxazol-4-yl]propanoic acid tert-butyl ester
ChEBI ID CHEBI:125219
Stars This entity has been manually annotated by a third party.
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Formula C31H40N2O6
Net Charge 0
Average Mass 536.660
Monoisotopic Mass 536.28864
InChI InChI=1S/C31H40N2O6/c1-30(2,3)39-26(35)17-18-31(29(36)33-19-8-5-9-20-33)27(23-11-6-4-7-12-23)38-28(32-31)24-13-15-25(16-14-24)37-22-10-21-34/h4,6-7,11-16,27,34H,5,8-10,17-22H2,1-3H3/t27-,31-/m0/s1
InChIKey QDGYMWPBIKSABL-DHIFEGFHSA-N
SMILES CC(C)(C)OC(=O)CC[C@]1([C@@H](OC(=N1)C2=CC=C(C=C2)OCCCO)C3=CC=CC=C3)C(=O)N4CCCCC4
ChEBI Ontology
Outgoing 3-[(4S,5S)-2-[4-(3-hydroxypropoxy)phenyl]-4-[oxo(1-piperidinyl)methyl]-5-phenyl-5H-oxazol-4-yl]propanoic acid tert-butyl ester (CHEBI:125219) has functional parent α-amino acid (CHEBI:33704)
3-[(4S,5S)-2-[4-(3-hydroxypropoxy)phenyl]-4-[oxo(1-piperidinyl)methyl]-5-phenyl-5H-oxazol-4-yl]propanoic acid tert-butyl ester (CHEBI:125219) is a tert-butyl ester (CHEBI:140402)
3-[(4S,5S)-2-[4-(3-hydroxypropoxy)phenyl]-4-[oxo(1-piperidinyl)methyl]-5-phenyl-5H-oxazol-4-yl]propanoic acid tert-butyl ester (CHEBI:125219) is a organonitrogen compound (CHEBI:35352)
3-[(4S,5S)-2-[4-(3-hydroxypropoxy)phenyl]-4-[oxo(1-piperidinyl)methyl]-5-phenyl-5H-oxazol-4-yl]propanoic acid tert-butyl ester (CHEBI:125219) is a organooxygen compound (CHEBI:36963)
Manual Xref Database
LSM-36687 LINCS
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Last Modified
09 March 2018