methyl 3-(4-phenylphenyl)-3-[2-[5-(pyrimidin-2-ylamino)pentanoylamino]ethanoylamino]propanoate

Systemtic Name: methyl 3-(4-phenylphenyl)-3-[2-[5-(pyrimidin-2-ylamino)pentanoylamino]ethanoylamino]propanoate Openeye Name: methyl 3-(4-phenylphenyl)-3-[[2-[5-(pyrimidin-2-ylamino)pentanoylamino]acetyl]amino]propanoate CAS Name: 3-[[1-oxo-2-[[1-oxo-5-(2-pyrimidinylamino)pentyl]amino]ethyl]amino]-3-(4-phenylphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-(4-phenylphenyl)-3-[[2-[5-(pyrimidin-2-ylamino)pentanoylamino]acetyl]amino]propanoate Traditional Name: 3-(4-phenylphenyl)-3-[[2-[5-(2-pyrimidylamino)pentanoylamino]acetyl]amino]propionic acid methyl ester Formula: C27H31N5O4 MolecularWeight: 489.56614

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CNC(=O)CCCCNC3=NC=CC=N3

Isomeric SMILES

COC(=O)CC(C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CNC(=O)CCCCNC3=NC=CC=N3

InChI

InChI=1S/C27H31N5O4/c1-36-26(35)18-23(22-13-11-21(12-14-22)20-8-3-2-4-9-20)32-25(34)19-31-24(33)10-5-6-15-28-27-29-16-7-17-30-27/h2-4,7-9,11-14,16-17,23H,5-6,10,15,18-19H2,1H3,(H,31,33)(H,32,34)(H,28,29,30)