2-[2-[(4-methylphenyl)sulfonyl-phenethyl-amino]ethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-[(4-methylphenyl)sulfonyl-phenethyl-amino]ethanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[phenethyl(p-tolylsulfonyl)amino]acetyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[(4-methylphenyl)sulfonyl-phenethylamino]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[(4-methylphenyl)sulfonyl-phenethylamino]acetyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[phenethyl(tosyl)amino]acetyl]amino]-3-phenyl-propionic acid Formula: C26H28N2O5S MolecularWeight: 480.57592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H28N2O5S/c1-20-12-14-23(15-13-20)34(32,33)28(17-16-21-8-4-2-5-9-21)19-25(29)27-24(26(30)31)18-22-10-6-3-7-11-22/h2-15,24H,16-19H2,1H3,(H,27,29)(H,30,31)