3-(4-phenylphenyl)-3-[2-[2-(pyridin-2-ylamino)ethoxycarbonylamino]ethanethioylamino]propanoic acid

Systemtic Name: 3-(4-phenylphenyl)-3-[2-[2-(pyridin-2-ylamino)ethoxycarbonylamino]ethanethioylamino]propanoic acid Openeye Name: 3-(4-phenylphenyl)-3-[[2-[2-(2-pyridylamino)ethoxycarbonylamino]ethanethioyl]amino]propanoic acid CAS Name: 3-[[2-[[oxo-[2-(2-pyridinylamino)ethoxy]methyl]amino]-1-sulfanylideneethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 3-(4-phenylphenyl)-3-[[2-[2-(pyridin-2-ylamino)ethoxycarbonylamino]ethanethioyl]amino]propanoic acid Traditional Name: 3-(4-phenylphenyl)-3-[[2-[2-(2-pyridylamino)ethoxycarbonylamino]thioacetyl]amino]propionic acid Formula: C25H26N4O4S MolecularWeight: 478.56334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(CC(=O)O)NC(=S)CNC(=O)OCCNC3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(CC(=O)O)NC(=S)CNC(=O)OCCNC3=CC=CC=N3

InChI

InChI=1S/C25H26N4O4S/c30-24(31)16-21(20-11-9-19(10-12-20)18-6-2-1-3-7-18)29-23(34)17-28-25(32)33-15-14-27-22-8-4-5-13-26-22/h1-13,21H,14-17H2,(H,26,27)(H,28,32)(H,29,34)(H,30,31)