2-[[(2S)-2-(chloromethyl)-3-phenyl-propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2S)-2-(chloromethyl)-3-phenyl-propanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S)-2-benzyl-3-chloro-propanoyl]amino]acetic acid CAS Name: 2-[[(2S)-2-(chloromethyl)-1-oxo-3-phenylpropyl]amino]acetic acid IUPAC Name: 2-[[(2S)-2-benzyl-3-chloropropanoyl]amino]acetic acid Traditional Name: 2-[[(2S)-2-benzyl-3-chloro-propanoyl]amino]acetic acid Formula: C12H14ClNO3 MolecularWeight: 255.69746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CCl)C(=O)NCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](CCl)C(=O)NCC(=O)O

InChI

InChI=1S/C12H14ClNO3/c13-7-10(12(17)14-8-11(15)16)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,17)(H,15,16)/t10-/m1/s1