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

Systemtic Name: 3-phenyl-2-[[3-phenyl-2-(3-sulfanylpropanoylamino)propanoyl]amino]propanoic acid Openeye Name: 3-phenyl-2-[[3-phenyl-2-(3-sulfanylpropanoylamino)propanoyl]amino]propanoic acid CAS Name: 2-[[2-[(3-mercapto-1-oxopropyl)amino]-1-oxo-3-phenylpropyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-[[3-phenyl-2-(3-sulfanylpropanoylamino)propanoyl]amino]propanoic acid Traditional Name: 2-[[2-(3-mercaptopropanoylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propionic acid Formula: C21H24N2O4S MolecularWeight: 400.49126

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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)CCS

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c24-19(11-12-28)22-17(13-15-7-3-1-4-8-15)20(25)23-18(21(26)27)14-16-9-5-2-6-10-16/h1-10,17-18,28H,11-14H2,(H,22,24)(H,23,25)(H,26,27)