2-[[(2S)-2-(bromomethyl)-3-phenyl-propanoyl]amino]propanoic acid

Systemtic Name: 2-[[(2S)-2-(bromomethyl)-3-phenyl-propanoyl]amino]propanoic acid Openeye Name: 2-[[(2S)-2-benzyl-3-bromo-propanoyl]amino]propanoic acid CAS Name: 2-[[(2S)-2-(bromomethyl)-1-oxo-3-phenylpropyl]amino]propanoic acid IUPAC Name: 2-[[(2S)-2-benzyl-3-bromopropanoyl]amino]propanoic acid Traditional Name: 2-[[(2S)-2-benzyl-3-bromo-propanoyl]amino]propionic acid Formula: C13H16BrNO3 MolecularWeight: 314.17504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)CBr

Isomeric SMILES

CC(C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)CBr

InChI

InChI=1S/C13H16BrNO3/c1-9(13(17)18)15-12(16)11(8-14)7-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,15,16)(H,17,18)/t9?,11-/m1/s1