methyl 3-[4-(4-fluorophenyl)-3-oxidanyl-phenyl]-3-[2-[5-(pyridin-2-ylamino)pentanoylamino]ethanoylamino]propanoate

Systemtic Name: methyl 3-[4-(4-fluorophenyl)-3-oxidanyl-phenyl]-3-[2-[5-(pyridin-2-ylamino)pentanoylamino]ethanoylamino]propanoate Openeye Name: methyl 3-[4-(4-fluorophenyl)-3-hydroxy-phenyl]-3-[[2-[5-(2-pyridylamino)pentanoylamino]acetyl]amino]propanoate CAS Name: 3-[4-(4-fluorophenyl)-3-hydroxyphenyl]-3-[[1-oxo-2-[[1-oxo-5-(2-pyridinylamino)pentyl]amino]ethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(4-fluorophenyl)-3-hydroxyphenyl]-3-[[2-[5-(pyridin-2-ylamino)pentanoylamino]acetyl]amino]propanoate Traditional Name: 3-[4-(4-fluorophenyl)-3-hydroxy-phenyl]-3-[[2-[5-(2-pyridylamino)pentanoylamino]acetyl]amino]propionic acid methyl ester Formula: C28H31FN4O5 MolecularWeight: 522.567943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31FN4O5/c1-38-28(37)17-23(20-10-13-22(24(34)16-20)19-8-11-21(29)12-9-19)33-27(36)18-32-26(35)7-3-5-15-31-25-6-2-4-14-30-25/h2,4,6,8-14,16,23,34H,3,5,7,15,17-18H2,1H3,(H,30,31)(H,32,35)(H,33,36)