3-phenyl-2-[[4-phenyl-2-(2-sulfanylpentanoylamino)butanoyl]amino]propanoic acid

Systemtic Name: 3-phenyl-2-[[4-phenyl-2-(2-sulfanylpentanoylamino)butanoyl]amino]propanoic acid Openeye Name: 3-phenyl-2-[[4-phenyl-2-(2-sulfanylpentanoylamino)butanoyl]amino]propanoic acid CAS Name: 2-[[2-[(2-mercapto-1-oxopentyl)amino]-1-oxo-4-phenylbutyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-[[4-phenyl-2-(2-sulfanylpentanoylamino)butanoyl]amino]propanoic acid Traditional Name: 2-[[2-(2-mercaptopentanoylamino)-4-phenyl-butanoyl]amino]-3-phenyl-propionic acid Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(CCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)O)S

Isomeric SMILES

CCCC(C(=O)NC(CCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)O)S

InChI

InChI=1S/C24H30N2O4S/c1-2-9-21(31)23(28)25-19(15-14-17-10-5-3-6-11-17)22(27)26-20(24(29)30)16-18-12-7-4-8-13-18/h3-8,10-13,19-21,31H,2,9,14-16H2,1H3,(H,25,28)(H,26,27)(H,29,30)