2-[[(2S)-2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]ethanoate

Systemtic Name: 2-[[(2S)-2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]ethanoate Openeye Name: 2-[[(2S)-2-benzyl-3-sulfanyl-propanoyl]amino]acetate CAS Name: 2-[[(2S)-2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]acetate IUPAC Name: 2-[[(2S)-2-benzyl-3-sulfanylpropanoyl]amino]acetate Traditional Name: 2-[[(2S)-2-benzyl-3-mercapto-propanoyl]amino]acetate Formula: C12H14NO3S- MolecularWeight: 252.30946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)C(=O)NCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/p-1/t10-/m1/s1