(2S)-2-(2-bromanylpropanoylamino)-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-(2-bromanylpropanoylamino)-3-phenyl-propanoic acid Openeye Name: (2S)-2-(2-bromopropanoylamino)-3-phenyl-propanoic acid CAS Name: (2S)-2-[(2-bromo-1-oxopropyl)amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-(2-bromopropanoylamino)-3-phenylpropanoic acid Traditional Name: (2S)-2-(2-bromopropanoylamino)-3-phenyl-propionic acid Formula: C12H14BrNO3 MolecularWeight: 300.14846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)Br

InChI

InChI=1S/C12H14BrNO3/c1-8(13)11(15)14-10(12(16)17)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,14,15)(H,16,17)/t8?,10-/m0/s1