3-(4-phenylphenyl)-3-[2-[4-(pyrimidin-2-ylamino)butanoylamino]ethanoylamino]propanoic acid

Systemtic Name: 3-(4-phenylphenyl)-3-[2-[4-(pyrimidin-2-ylamino)butanoylamino]ethanoylamino]propanoic acid Openeye Name: 3-(4-phenylphenyl)-3-[[2-[4-(pyrimidin-2-ylamino)butanoylamino]acetyl]amino]propanoic acid CAS Name: 3-[[1-oxo-2-[[1-oxo-4-(2-pyrimidinylamino)butyl]amino]ethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 3-(4-phenylphenyl)-3-[[2-[4-(pyrimidin-2-ylamino)butanoylamino]acetyl]amino]propanoic acid Traditional Name: 3-(4-phenylphenyl)-3-[[2-[4-(2-pyrimidylamino)butanoylamino]acetyl]amino]propionic acid Formula: C25H27N5O4 MolecularWeight: 461.51298

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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(=O)CNC(=O)CCCNC3=NC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(CC(=O)O)NC(=O)CNC(=O)CCCNC3=NC=CC=N3

InChI

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