CHEBI:125172 - [(4S,5S)-5-(2-azidophenyl)-4-[2-(benzenesulfonyl)ethyl]-2-[4-(3-hydroxypropoxy)phenyl]-5H-oxazol-4-yl]-(1-piperidinyl)methanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name [(4S,5S)-5-(2-azidophenyl)-4-[2-(benzenesulfonyl)ethyl]-2-[4-(3-hydroxypropoxy)phenyl]-5H-oxazol-4-yl]-(1-piperidinyl)methanone
ChEBI ID CHEBI:125172
Stars This entity has been manually annotated by a third party.
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Formula C32H35N5O6S
Net Charge 0
Average Mass 617.718
Monoisotopic Mass 617.23081
InChI InChI=1S/C32H35N5O6S/c33-36-35-28-13-6-5-12-27(28)29-32(31(39)37-19-7-2-8-20-37,18-23-44(40,41)26-10-3-1-4-11-26)34-30(43-29)24-14-16-25(17-15-24)42-22-9-21-38/h1,3-6,10-17,29,38H,2,7-9,18-23H2/t29-,32-/m0/s1
InChIKey TYNOVKAISQAATB-NYDCQLBNSA-N
SMILES C1CCN(CC1)C(=O)[C@@]2([C@@H](OC(=N2)C3=CC=C(C=C3)OCCCO)C4=CC=CC=C4N=[N+]=[N-])CCS(=O)(=O)C5=CC=CC=C5
ChEBI Ontology
Outgoing [(4S,5S)-5-(2-azidophenyl)-4-[2-(benzenesulfonyl)ethyl]-2-[4-(3-hydroxypropoxy)phenyl]-5H-oxazol-4-yl]-(1-piperidinyl)methanone (CHEBI:125172) has functional parent α-amino acid (CHEBI:33704)
[(4S,5S)-5-(2-azidophenyl)-4-[2-(benzenesulfonyl)ethyl]-2-[4-(3-hydroxypropoxy)phenyl]-5H-oxazol-4-yl]-(1-piperidinyl)methanone (CHEBI:125172) is a organonitrogen compound (CHEBI:35352)
[(4S,5S)-5-(2-azidophenyl)-4-[2-(benzenesulfonyl)ethyl]-2-[4-(3-hydroxypropoxy)phenyl]-5H-oxazol-4-yl]-(1-piperidinyl)methanone (CHEBI:125172) is a organooxygen compound (CHEBI:36963)
Manual Xref Database
LSM-36638 LINCS
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