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

Systemtic Name: 3-[ethanoyl-[3-(pyridin-2-ylamino)propoxycarbonylamino]amino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 3-[acetyl-[3-(2-pyridylamino)propoxycarbonylamino]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 3-[acetyl-[[oxo-[3-(2-pyridinylamino)propoxy]methyl]amino]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 3-[acetyl-[3-(pyridin-2-ylamino)propoxycarbonylamino]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 3-[acetyl-[3-(2-pyridylamino)propoxycarbonylamino]amino]-3-(4-phenylphenyl)propionic acid Formula: C26H28N4O5 MolecularWeight: 476.52432

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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)OCCCNC3=CC=CC=N3

Isomeric SMILES

CC(=O)N(C(CC(=O)O)C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)OCCCNC3=CC=CC=N3

InChI

InChI=1S/C26H28N4O5/c1-19(31)30(29-26(34)35-17-7-16-28-24-10-5-6-15-27-24)23(18-25(32)33)22-13-11-21(12-14-22)20-8-3-2-4-9-20/h2-6,8-15,23H,7,16-18H2,1H3,(H,27,28)(H,29,34)(H,32,33)