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

Systemtic Name: (2S)-2-[[(2S)-3-phenyl-2-(2-sulfanylethanoylamino)propanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2S)-3-phenyl-2-[(2-sulfanylacetyl)amino]propanoyl]amino]propanoic acid CAS Name: (2S)-2-[[(2S)-2-[(2-mercapto-1-oxoethyl)amino]-1-oxo-3-phenylpropyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(2S)-3-phenyl-2-[(2-sulfanylacetyl)amino]propanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-2-[(2-mercaptoacetyl)amino]-3-phenyl-propanoyl]amino]propionic acid Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4S/c1-9(14(19)20)15-13(18)11(16-12(17)8-21)7-10-5-3-2-4-6-10/h2-6,9,11,21H,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)/t9-,11-/m0/s1