(3S)-3-azanyl-2-oxidanyl-N-phenethyl-4-phenyl-butanamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: (3S)-3-azanyl-2-oxidanyl-N-phenethyl-4-phenyl-butanamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: (3S)-3-amino-2-hydroxy-N-phenethyl-4-phenyl-butanamide; 2,2,2-trifluoroacetic acid CAS Name: (3S)-3-amino-2-hydroxy-N-phenethyl-4-phenylbutanamide; 2,2,2-trifluoroacetic acid IUPAC Name: (3S)-3-amino-2-hydroxy-N-phenethyl-4-phenylbutanamide; 2,2,2-trifluoroacetic acid Traditional Name: (3S)-3-amino-2-hydroxy-N-phenethyl-4-phenyl-butyramide; 2,2,2-trifluoroacetic acid Formula: C20H23F3N2O4 MolecularWeight: 412.40283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C(C(CC2=CC=CC=C2)N)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C([C@H](CC2=CC=CC=C2)N)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C18H22N2O2.C2HF3O2/c19-16(13-15-9-5-2-6-10-15)17(21)18(22)20-12-11-14-7-3-1-4-8-14;3-2(4,5)1(6)7/h1-10,16-17,21H,11-13,19H2,(H,20,22);(H,6,7)/t16-,17?;/m0./s1