(phenylmethyl) N-(2-azanyl-3-phenyl-propanoyl)-N-[(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate

Systemtic Name: (phenylmethyl) N-(2-azanyl-3-phenyl-propanoyl)-N-[(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate Openeye Name: benzyl N-(2-amino-3-phenyl-propanoyl)-N-[(3-bromo-4,5-dihydroisoxazol-5-yl)methyl]carbamate CAS Name: N-(2-amino-1-oxo-3-phenylpropyl)-N-[(3-bromo-4,5-dihydroisoxazol-5-yl)methyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(2-amino-3-phenylpropanoyl)-N-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate Traditional Name: N-[(3-bromo-2-isoxazolin-5-yl)methyl]-N-phenylalanyl-carbamic acid benzyl ester Formula: C21H22BrN3O4 MolecularWeight: 460.32108

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1Br)CN(C(=O)C(CC2=CC=CC=C2)N)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1C(ON=C1Br)CN(C(=O)C(CC2=CC=CC=C2)N)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H22BrN3O4/c22-19-12-17(29-24-19)13-25(21(27)28-14-16-9-5-2-6-10-16)20(26)18(23)11-15-7-3-1-4-8-15/h1-10,17-18H,11-14,23H2