methyl 4-[[(5S)-3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl]methylamino]-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: methyl 4-[[(5S)-3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl]methylamino]-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: methyl 2-(benzyloxycarbonylamino)-4-[[(5S)-3-bromo-4,5-dihydroisoxazol-5-yl]methylamino]-4-oxo-butanoate CAS Name: 4-[[(5S)-3-bromo-4,5-dihydroisoxazol-5-yl]methylamino]-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid methyl ester IUPAC Name: methyl 4-[[(5S)-3-bromo-4,5-dihydro-1,2-oxazol-5-yl]methylamino]-4-oxo-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-4-[[(5S)-3-bromo-2-isoxazolin-5-yl]methylamino]-4-keto-butyric acid methyl ester Formula: C17H20BrN3O6 MolecularWeight: 442.2612

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=O)NCC1CC(=NO1)Br)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CC(=O)NC[C@@H]1CC(=NO1)Br)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H20BrN3O6/c1-25-16(23)13(8-15(22)19-9-12-7-14(18)21-27-12)20-17(24)26-10-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,19,22)(H,20,24)/t12-,13?/m0/s1