3-[2-[4-(pyridin-2-ylamino)butanoylamino]ethanoylamino]-3-(4-pyridin-4-ylphenyl)propanoic acid

Systemtic Name: 3-[2-[4-(pyridin-2-ylamino)butanoylamino]ethanoylamino]-3-(4-pyridin-4-ylphenyl)propanoic acid Openeye Name: 3-[[2-[4-(2-pyridylamino)butanoylamino]acetyl]amino]-3-[4-(4-pyridyl)phenyl]propanoic acid CAS Name: 3-[[1-oxo-2-[[1-oxo-4-(2-pyridinylamino)butyl]amino]ethyl]amino]-3-(4-pyridin-4-ylphenyl)propanoic acid IUPAC Name: 3-[[2-[4-(pyridin-2-ylamino)butanoylamino]acetyl]amino]-3-(4-pyridin-4-ylphenyl)propanoic acid Traditional Name: 3-[[2-[4-(2-pyridylamino)butanoylamino]acetyl]amino]-3-[4-(4-pyridyl)phenyl]propionic acid Formula: C25H27N5O4 MolecularWeight: 461.51298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NCCCC(=O)NCC(=O)NC(CC(=O)O)C2=CC=C(C=C2)C3=CC=NC=C3

Isomeric SMILES

C1=CC=NC(=C1)NCCCC(=O)NCC(=O)NC(CC(=O)O)C2=CC=C(C=C2)C3=CC=NC=C3

InChI

InChI=1S/C25H27N5O4/c31-23(5-3-13-28-22-4-1-2-12-27-22)29-17-24(32)30-21(16-25(33)34)20-8-6-18(7-9-20)19-10-14-26-15-11-19/h1-2,4,6-12,14-15,21H,3,5,13,16-17H2,(H,27,28)(H,29,31)(H,30,32)(H,33,34)