methyl 3-(4-carbamimidoylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]ethanoylamino]propanoate

Systemtic Name: methyl 3-(4-carbamimidoylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]ethanoylamino]propanoate Openeye Name: methyl 3-(4-carbamimidoylphenyl)-2-[[2-(p-tolylsulfonylamino)acetyl]amino]propanoate CAS Name: 3-(4-carbamimidoylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-carbamimidoylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]propanoate Traditional Name: 3-(4-amidinophenyl)-2-[[2-(tosylamino)acetyl]amino]propionic acid methyl ester Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O5S/c1-13-3-9-16(10-4-13)30(27,28)23-12-18(25)24-17(20(26)29-2)11-14-5-7-15(8-6-14)19(21)22/h3-10,17,23H,11-12H2,1-2H3,(H3,21,22)(H,24,25)