methyl 2-[2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[2-[benzyl(p-tolylsulfonyl)amino]acetyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-[benzyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[benzyl(tosyl)amino]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C26H28N2O5S MolecularWeight: 480.57592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)NC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)NC(CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C26H28N2O5S/c1-20-13-15-23(16-14-20)34(31,32)28(18-22-11-7-4-8-12-22)19-25(29)27-24(26(30)33-2)17-21-9-5-3-6-10-21/h3-16,24H,17-19H2,1-2H3,(H,27,29)