2-bromoethyl (2S)-2-azanyl-3-(4-methoxy-3-oxidanyl-phenyl)propanoate

Systemtic Name: 2-bromoethyl (2S)-2-azanyl-3-(4-methoxy-3-oxidanyl-phenyl)propanoate Openeye Name: 2-bromoethyl (2S)-2-amino-3-(3-hydroxy-4-methoxy-phenyl)propanoate CAS Name: (2S)-2-amino-3-(3-hydroxy-4-methoxyphenyl)propanoic acid 2-bromoethyl ester IUPAC Name: 2-bromoethyl (2S)-2-amino-3-(3-hydroxy-4-methoxyphenyl)propanoate Traditional Name: (2S)-2-amino-3-(3-hydroxy-4-methoxy-phenyl)propionic acid 2-bromoethyl ester Formula: C12H16BrNO4 MolecularWeight: 318.16374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(C(=O)OCCBr)N)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[C@@H](C(=O)OCCBr)N)O

InChI

InChI=1S/C12H16BrNO4/c1-17-11-3-2-8(7-10(11)15)6-9(14)12(16)18-5-4-13/h2-3,7,9,15H,4-6,14H2,1H3/t9-/m0/s1