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

Systemtic Name: 2-[[2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]propanoic acid Openeye Name: 2-[[2-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]propanoic acid CAS Name: 2-[[2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-1-oxo-3-phenylpropyl]amino]propanoic acid IUPAC Name: 2-[[2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]propanoic acid Traditional Name: 2-[[2-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]propionic acid Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)CSC(=O)C

Isomeric SMILES

CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)CSC(=O)C

InChI

InChI=1S/C24H28N2O5S/c1-16(24(30)31)25-23(29)21(14-19-11-7-4-8-12-19)26-22(28)20(15-32-17(2)27)13-18-9-5-3-6-10-18/h3-12,16,20-21H,13-15H2,1-2H3,(H,25,29)(H,26,28)(H,30,31)