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

Systemtic Name: methyl 3-(4-phenylphenyl)-3-[2-[4-(pyrimidin-2-ylamino)butanoylamino]ethanoylamino]propanoate Openeye Name: methyl 3-(4-phenylphenyl)-3-[[2-[4-(pyrimidin-2-ylamino)butanoylamino]acetyl]amino]propanoate CAS Name: 3-[[1-oxo-2-[[1-oxo-4-(2-pyrimidinylamino)butyl]amino]ethyl]amino]-3-(4-phenylphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-(4-phenylphenyl)-3-[[2-[4-(pyrimidin-2-ylamino)butanoylamino]acetyl]amino]propanoate Traditional Name: 3-(4-phenylphenyl)-3-[[2-[4-(2-pyrimidylamino)butanoylamino]acetyl]amino]propionic acid methyl ester Formula: C26H29N5O4 MolecularWeight: 475.53956

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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)CCCNC3=NC=CC=N3

Isomeric SMILES

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

InChI

InChI=1S/C26H29N5O4/c1-35-25(34)17-22(21-12-10-20(11-13-21)19-7-3-2-4-8-19)31-24(33)18-30-23(32)9-5-14-27-26-28-15-6-16-29-26/h2-4,6-8,10-13,15-16,22H,5,9,14,17-18H2,1H3,(H,30,32)(H,31,33)(H,27,28,29)