(2S)-3-(4-bromophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: (2S)-3-(4-bromophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-3-(4-bromophenyl)propanoic acid CAS Name: (2S)-3-(4-bromophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: (2S)-3-(4-bromophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(4-bromophenyl)propionic acid Formula: C17H16BrNO4 MolecularWeight: 378.21724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C17H16BrNO4/c18-14-8-6-12(7-9-14)10-15(16(20)21)19-17(22)23-11-13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H,19,22)(H,20,21)/t15-/m0/s1