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

Systemtic Name: 2-[[(2S)-3-phenyl-2-(2-sulfanylethanoylamino)propanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S)-3-phenyl-2-[(2-sulfanylacetyl)amino]propanoyl]amino]acetic acid CAS Name: 2-[[(2S)-2-[(2-mercapto-1-oxoethyl)amino]-1-oxo-3-phenylpropyl]amino]acetic acid IUPAC Name: 2-[[(2S)-3-phenyl-2-[(2-sulfanylacetyl)amino]propanoyl]amino]acetic acid Traditional Name: 2-[[(2S)-2-[(2-mercaptoacetyl)amino]-3-phenyl-propanoyl]amino]acetic acid Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCC(=O)O)NC(=O)CS

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O4S/c16-11(8-20)15-10(13(19)14-7-12(17)18)6-9-4-2-1-3-5-9/h1-5,10,20H,6-8H2,(H,14,19)(H,15,16)(H,17,18)/t10-/m0/s1