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

Systemtic Name: tert-butyl N-(2-azanyl-3-phenyl-propanoyl)-N-[(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C18H24BrN3O4 MolecularWeight: 426.30486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC1CC(=NO1)Br)C(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CC(C)(C)OC(=O)N(CC1CC(=NO1)Br)C(=O)C(CC2=CC=CC=C2)N

InChI

InChI=1S/C18H24BrN3O4/c1-18(2,3)25-17(24)22(11-13-10-15(19)21-26-13)16(23)14(20)9-12-7-5-4-6-8-12/h4-8,13-14H,9-11,20H2,1-3H3