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

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

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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)S

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-14(21(26)27)22-19(24)17(12-15-8-4-2-5-9-15)23-20(25)18(28)13-16-10-6-3-7-11-16/h2-11,14,17-18,28H,12-13H2,1H3,(H,22,24)(H,23,25)(H,26,27)