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

Systemtic Name: 3-[ethanoyl-[2-(pyridin-2-ylamino)ethoxycarbonylamino]amino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 3-[acetyl-[2-(2-pyridylamino)ethoxycarbonylamino]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 3-[acetyl-[[oxo-[2-(2-pyridinylamino)ethoxy]methyl]amino]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 3-[acetyl-[2-(pyridin-2-ylamino)ethoxycarbonylamino]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 3-[acetyl-[2-(2-pyridylamino)ethoxycarbonylamino]amino]-3-(4-phenylphenyl)propionic acid Formula: C25H26N4O5 MolecularWeight: 462.49774

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C(CC(=O)O)C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)OCCNC3=CC=CC=N3

Isomeric SMILES

CC(=O)N(C(CC(=O)O)C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)OCCNC3=CC=CC=N3

InChI

InChI=1S/C25H26N4O5/c1-18(30)29(28-25(33)34-16-15-27-23-9-5-6-14-26-23)22(17-24(31)32)21-12-10-20(11-13-21)19-7-3-2-4-8-19/h2-14,22H,15-17H2,1H3,(H,26,27)(H,28,33)(H,31,32)