CHEBI:94617 - (2R)-2-[[oxo-(4-propan-2-ylcyclohexyl)methyl]amino]-3-phenylpropanoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2R)-2-[[oxo-(4-propan-2-ylcyclohexyl)methyl]amino]-3-phenylpropanoic acid
ChEBI ID CHEBI:94617
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C19H27NO3
Net Charge 0
Average Mass 317.423
Monoisotopic Mass 317.19909
InChI InChI=1S/C19H27NO3/c1-13(2)15-8-10-16(11-9-15)18(21)20-17(19(22)23)12-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,20,21)(H,22,23)/t15?,16?,17-/m1/s1
InChIKey OELFLUMRDSZNSF-OFLPRAFFSA-N
SMILES CC(C)C1CCC(CC1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)O
ChEBI Ontology
Outgoing (2R)-2-[[oxo-(4-propan-2-ylcyclohexyl)methyl]amino]-3-phenylpropanoic acid (CHEBI:94617) is a phenylalanine derivative (CHEBI:25985)
Manual Xref Database
LSM-5555 LINCS
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