(2S)-2-azanyl-N-[(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-phenyl-propanamide

Systemtic Name: (2S)-2-azanyl-N-[(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-phenyl-propanamide Openeye Name: (2S)-2-amino-N-[(3-bromo-4,5-dihydroisoxazol-5-yl)methyl]-3-phenyl-propanamide CAS Name: (2S)-2-amino-N-[(3-bromo-4,5-dihydroisoxazol-5-yl)methyl]-3-phenylpropanamide IUPAC Name: (2S)-2-amino-N-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-phenylpropanamide Traditional Name: (2S)-2-amino-N-[(3-bromo-2-isoxazolin-5-yl)methyl]-3-phenyl-propionamide Formula: C13H16BrN3O2 MolecularWeight: 326.18904

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1Br)CNC(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

C1C(ON=C1Br)CNC(=O)[C@H](CC2=CC=CC=C2)N

InChI

InChI=1S/C13H16BrN3O2/c14-12-7-10(19-17-12)8-16-13(18)11(15)6-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,18)/t10?,11-/m0/s1