methyl (2S)-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2S)-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-3-(3,5-dibromo-4-hydroxy-phenyl)propanoate CAS Name: (2S)-3-(3,5-dibromo-4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(3,5-dibromo-4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(3,5-dibromo-4-hydroxy-phenyl)propionic acid methyl ester Formula: C18H17Br2NO5 MolecularWeight: 487.13928

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC(=C(C(=C1)Br)O)Br)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H](CC1=CC(=C(C(=C1)Br)O)Br)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H17Br2NO5/c1-25-17(23)15(9-12-7-13(19)16(22)14(20)8-12)21-18(24)26-10-11-5-3-2-4-6-11/h2-8,15,22H,9-10H2,1H3,(H,21,24)/t15-/m0/s1