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

Systemtic Name: 1-adamantyl N-(2-azanyl-3-phenyl-propanoyl)-N-[(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate Openeye Name: 1-adamantyl 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 1-adamantyl ester IUPAC Name: 1-adamantyl 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 1-adamantyl ester Formula: C24H30BrN3O4 MolecularWeight: 504.4167

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OC(=O)N(CC4CC(=NO4)Br)C(=O)C(CC5=CC=CC=C5)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OC(=O)N(CC4CC(=NO4)Br)C(=O)C(CC5=CC=CC=C5)N

InChI

InChI=1S/C24H30BrN3O4/c25-21-10-19(32-27-21)14-28(22(29)20(26)9-15-4-2-1-3-5-15)23(30)31-24-11-16-6-17(12-24)8-18(7-16)13-24/h1-5,16-20H,6-14,26H2