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

Systemtic Name: 3-phenyl-2-[[3-phenyl-2-(2-sulfanylethanoylamino)propanoyl]amino]propanoic acid Openeye Name: 3-phenyl-2-[[3-phenyl-2-[(2-sulfanylacetyl)amino]propanoyl]amino]propanoic acid CAS Name: 2-[[2-[(2-mercapto-1-oxoethyl)amino]-1-oxo-3-phenylpropyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-[[3-phenyl-2-[(2-sulfanylacetyl)amino]propanoyl]amino]propanoic acid Traditional Name: 2-[[2-[(2-mercaptoacetyl)amino]-3-phenyl-propanoyl]amino]-3-phenyl-propionic acid Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)O)NC(=O)CS

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)O)NC(=O)CS

InChI

InChI=1S/C20H22N2O4S/c23-18(13-27)21-16(11-14-7-3-1-4-8-14)19(24)22-17(20(25)26)12-15-9-5-2-6-10-15/h1-10,16-17,27H,11-13H2,(H,21,23)(H,22,24)(H,25,26)