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

Systemtic Name: ethyl 3-(4-carbamimidoylphenyl)-2-[2-[(4-carbamimidoylphenyl)sulfonylamino]ethanoylamino]propanoate Openeye Name: ethyl 3-(4-carbamimidoylphenyl)-2-[[2-[(4-carbamimidoylphenyl)sulfonylamino]acetyl]amino]propanoate CAS Name: 3-(4-carbamimidoylphenyl)-2-[[2-[(4-carbamimidoylphenyl)sulfonylamino]-1-oxoethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-(4-carbamimidoylphenyl)-2-[[2-[(4-carbamimidoylphenyl)sulfonylamino]acetyl]amino]propanoate Traditional Name: 3-(4-amidinophenyl)-2-[[2-[(4-amidinophenyl)sulfonylamino]acetyl]amino]propionic acid ethyl ester Formula: C21H26N6O5S MolecularWeight: 474.53334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)C(=N)N)NC(=O)CNS(=O)(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)C(=N)N)NC(=O)CNS(=O)(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H26N6O5S/c1-2-32-21(29)17(11-13-3-5-14(6-4-13)19(22)23)27-18(28)12-26-33(30,31)16-9-7-15(8-10-16)20(24)25/h3-10,17,26H,2,11-12H2,1H3,(H3,22,23)(H3,24,25)(H,27,28)