(2S)-2-azanyl-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]propanoic acid hydrate

Systemtic Name: (2S)-2-azanyl-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]propanoic acid hydrate Openeye Name: (2S)-2-amino-3-(3,5-dibromo-4-hydroxy-phenyl)propanoic acid hydrate CAS Name: (2S)-2-amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid hydrate IUPAC Name: (2S)-2-amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid hydrate Traditional Name: (2S)-2-amino-3-(3,5-dibromo-4-hydroxy-phenyl)propionic acid hydrate Formula: C9H11Br2NO4 MolecularWeight: 356.99594

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Br)O)Br)CC(C(=O)O)N.O

Isomeric SMILES

C1=C(C=C(C(=C1Br)O)Br)C[C@@H](C(=O)O)N.O

InChI

InChI=1S/C9H9Br2NO3.H2O/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15;/h1-2,7,13H,3,12H2,(H,14,15);1H2/t7-;/m0./s1