methyl (2S)-3-(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2S)-3-(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-3-(3-bromo-4,5-dihydroisoxazol-5-yl)propanoate CAS Name: (2S)-3-(3-bromo-4,5-dihydroisoxazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(3-bromo-2-isoxazolin-5-yl)propionic acid methyl ester Formula: C15H17BrN2O5 MolecularWeight: 385.20988

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1CC(=NO1)Br)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H](CC1CC(=NO1)Br)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C15H17BrN2O5/c1-21-14(19)12(7-11-8-13(16)18-23-11)17-15(20)22-9-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H,17,20)/t11?,12-/m0/s1