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

Systemtic Name: 2-[[2-[2-[(4-methylphenyl)sulfonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]propanoic acid Openeye Name: 2-[[3-phenyl-2-[[2-(p-tolylsulfonylamino)acetyl]amino]propanoyl]amino]propanoic acid CAS Name: 2-[[2-[[2-[(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]propanoic acid IUPAC Name: 2-[[2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-phenylpropanoyl]amino]propanoic acid Traditional Name: 2-[[3-phenyl-2-[[2-(tosylamino)acetyl]amino]propanoyl]amino]propionic acid Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c1-14-8-10-17(11-9-14)31(29,30)22-13-19(25)24-18(12-16-6-4-3-5-7-16)20(26)23-15(2)21(27)28/h3-11,15,18,22H,12-13H2,1-2H3,(H,23,26)(H,24,25)(H,27,28)