(2S)-3-(3-bromanyl-4-oxidanyl-phenyl)-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: (2S)-3-(3-bromanyl-4-oxidanyl-phenyl)-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-3-(3-bromo-4-hydroxy-phenyl)propanoic acid CAS Name: (2S)-3-(3-bromo-4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: (2S)-3-(3-bromo-4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(3-bromo-4-hydroxy-phenyl)propionic acid Formula: C17H16BrNO5 MolecularWeight: 394.21664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrNO5/c18-13-8-12(6-7-15(13)20)9-14(16(21)22)19-17(23)24-10-11-4-2-1-3-5-11/h1-8,14,20H,9-10H2,(H,19,23)(H,21,22)/t14-/m0/s1