ethyl 3-[2-[4-(4-carbamimidoylphenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]-2-(pyridin-3-ylsulfonylamino)propanoate

Systemtic Name: ethyl 3-[2-[4-(4-carbamimidoylphenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]-2-(pyridin-3-ylsulfonylamino)propanoate Openeye Name: ethyl 3-[[2-[4-(4-carbamimidoylphenyl)-2-oxo-piperazin-1-yl]acetyl]amino]-2-(3-pyridylsulfonylamino)propanoate CAS Name: 3-[[2-[4-(4-carbamimidoylphenyl)-2-oxo-1-piperazinyl]-1-oxoethyl]amino]-2-(3-pyridinylsulfonylamino)propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[4-(4-carbamimidoylphenyl)-2-oxopiperazin-1-yl]acetyl]amino]-2-(pyridin-3-ylsulfonylamino)propanoate Traditional Name: 3-[[2-[4-(4-amidinophenyl)-2-keto-piperazino]acetyl]amino]-2-(3-pyridylsulfonylamino)propionic acid ethyl ester Formula: C23H29N7O6S MolecularWeight: 531.58466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CNC(=O)CN1CCN(CC1=O)C2=CC=C(C=C2)C(=N)N)NS(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C(CNC(=O)CN1CCN(CC1=O)C2=CC=C(C=C2)C(=N)N)NS(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C23H29N7O6S/c1-2-36-23(33)19(28-37(34,35)18-4-3-9-26-12-18)13-27-20(31)14-30-11-10-29(15-21(30)32)17-7-5-16(6-8-17)22(24)25/h3-9,12,19,28H,2,10-11,13-15H2,1H3,(H3,24,25)(H,27,31)