3-azanyl-4-[(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl-phenylmethoxycarbonyl-amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl-phenylmethoxycarbonyl-amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[benzyloxycarbonyl-[(3-bromo-4,5-dihydroisoxazol-5-yl)methyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[(3-bromo-4,5-dihydroisoxazol-5-yl)methyl-phenylmethoxycarbonylamino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl-phenylmethoxycarbonylamino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[(3-bromo-2-isoxazolin-5-yl)methyl-carbobenzoxy-amino]-4-keto-butyric acid Formula: C16H18BrN3O6 MolecularWeight: 428.23462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1Br)CN(C(=O)C(CC(=O)O)N)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1C(ON=C1Br)CN(C(=O)C(CC(=O)O)N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H18BrN3O6/c17-13-6-11(26-19-13)8-20(15(23)12(18)7-14(21)22)16(24)25-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9,18H2,(H,21,22)