2-[2-[(4-methylphenyl)sulfonyl-(1-thiophen-2-ylethyl)amino]ethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-[(4-methylphenyl)sulfonyl-(1-thiophen-2-ylethyl)amino]ethanoylamino]-3-phenyl-propanoic acid Openeye Name: 3-phenyl-2-[[2-[p-tolylsulfonyl-[1-(2-thienyl)ethyl]amino]acetyl]amino]propanoic acid CAS Name: 2-[[2-[(4-methylphenyl)sulfonyl-(1-thiophen-2-ylethyl)amino]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[(4-methylphenyl)sulfonyl-(1-thiophen-2-ylethyl)amino]acetyl]amino]-3-phenylpropanoic acid Traditional Name: 3-phenyl-2-[[2-[1-(2-thienyl)ethyl-tosyl-amino]acetyl]amino]propionic acid Formula: C24H26N2O5S2 MolecularWeight: 486.60364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC(CC2=CC=CC=C2)C(=O)O)C(C)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC(CC2=CC=CC=C2)C(=O)O)C(C)C3=CC=CS3

InChI

InChI=1S/C24H26N2O5S2/c1-17-10-12-20(13-11-17)33(30,31)26(18(2)22-9-6-14-32-22)16-23(27)25-21(24(28)29)15-19-7-4-3-5-8-19/h3-14,18,21H,15-16H2,1-2H3,(H,25,27)(H,28,29)