4-[2-azanyl-4,6-bis(bromanyl)phenyl]-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: 4-[2-azanyl-4,6-bis(bromanyl)phenyl]-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: 4-(2-amino-4,6-dibromo-phenyl)-2-(benzyloxycarbonylamino)-4-oxo-butanoic acid CAS Name: 4-(2-amino-4,6-dibromophenyl)-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: 4-(2-amino-4,6-dibromophenyl)-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: 4-(2-amino-4,6-dibromo-phenyl)-2-(benzyloxycarbonylamino)-4-keto-butyric acid Formula: C18H16Br2N2O5 MolecularWeight: 500.13804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC(=O)C2=C(C=C(C=C2N)Br)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC(=O)C2=C(C=C(C=C2N)Br)Br)C(=O)O

InChI

InChI=1S/C18H16Br2N2O5/c19-11-6-12(20)16(13(21)7-11)15(23)8-14(17(24)25)22-18(26)27-9-10-4-2-1-3-5-10/h1-7,14H,8-9,21H2,(H,22,26)(H,24,25)