2-[[2-[(4-methylphenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-[(4-methylphenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[3-benzylsulfanyl-2-(p-tolylsulfonylamino)propanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[(4-methylphenyl)sulfonylamino]-1-oxo-3-(phenylmethylthio)propyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-benzylsulfanyl-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[3-(benzylthio)-2-(tosylamino)propanoyl]amino]-3-phenyl-propionic acid Formula: C26H28N2O5S2 MolecularWeight: 512.64092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H28N2O5S2/c1-19-12-14-22(15-13-19)35(32,33)28-24(18-34-17-21-10-6-3-7-11-21)25(29)27-23(26(30)31)16-20-8-4-2-5-9-20/h2-15,23-24,28H,16-18H2,1H3,(H,27,29)(H,30,31)