2-[2-[[2-methyl-1-(4-methylphenyl)sulfonyl-propan-2-yl]amino]ethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-[[2-methyl-1-(4-methylphenyl)sulfonyl-propan-2-yl]amino]ethanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[[1,1-dimethyl-2-(p-tolylsulfonyl)ethyl]amino]acetyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[[2-methyl-1-(4-methylphenyl)sulfonylpropan-2-yl]amino]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[[2-methyl-1-(4-methylphenyl)sulfonylpropan-2-yl]amino]acetyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[(1,1-dimethyl-2-tosyl-ethyl)amino]acetyl]amino]-3-phenyl-propionic acid Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5S/c1-16-9-11-18(12-10-16)30(28,29)15-22(2,3)23-14-20(25)24-19(21(26)27)13-17-7-5-4-6-8-17/h4-12,19,23H,13-15H2,1-3H3,(H,24,25)(H,26,27)