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

Systemtic Name: 3-[2-[4-(pyridin-2-ylamino)butanoylamino]ethanoylamino]-3-(4-pyridin-3-ylphenyl)propanoic acid Openeye Name: 3-[[2-[4-(2-pyridylamino)butanoylamino]acetyl]amino]-3-[4-(3-pyridyl)phenyl]propanoic acid CAS Name: 3-[[1-oxo-2-[[1-oxo-4-(2-pyridinylamino)butyl]amino]ethyl]amino]-3-[4-(3-pyridinyl)phenyl]propanoic acid IUPAC Name: 3-[[2-[4-(pyridin-2-ylamino)butanoylamino]acetyl]amino]-3-(4-pyridin-3-ylphenyl)propanoic acid Traditional Name: 3-[[2-[4-(2-pyridylamino)butanoylamino]acetyl]amino]-3-[4-(3-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=CN=CC=C3

Isomeric SMILES

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

InChI

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