methyl 3-(4-naphthalen-1-yl-2-oxidanyl-phenyl)-3-[2-[4-(pyridin-2-ylamino)butanoylamino]ethanoylamino]propanoate

Systemtic Name: methyl 3-(4-naphthalen-1-yl-2-oxidanyl-phenyl)-3-[2-[4-(pyridin-2-ylamino)butanoylamino]ethanoylamino]propanoate Openeye Name: methyl 3-[2-hydroxy-4-(1-naphthyl)phenyl]-3-[[2-[4-(2-pyridylamino)butanoylamino]acetyl]amino]propanoate CAS Name: 3-[2-hydroxy-4-(1-naphthalenyl)phenyl]-3-[[1-oxo-2-[[1-oxo-4-(2-pyridinylamino)butyl]amino]ethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(2-hydroxy-4-naphthalen-1-ylphenyl)-3-[[2-[4-(pyridin-2-ylamino)butanoylamino]acetyl]amino]propanoate Traditional Name: 3-[2-hydroxy-4-(1-naphthyl)phenyl]-3-[[2-[4-(2-pyridylamino)butanoylamino]acetyl]amino]propionic acid methyl ester Formula: C31H32N4O5 MolecularWeight: 540.60958

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=C(C=C(C=C1)C2=CC=CC3=CC=CC=C32)O)NC(=O)CNC(=O)CCCNC4=CC=CC=N4

Isomeric SMILES

COC(=O)CC(C1=C(C=C(C=C1)C2=CC=CC3=CC=CC=C32)O)NC(=O)CNC(=O)CCCNC4=CC=CC=N4

InChI

InChI=1S/C31H32N4O5/c1-40-31(39)19-26(35-30(38)20-34-29(37)13-7-17-33-28-12-4-5-16-32-28)25-15-14-22(18-27(25)36)24-11-6-9-21-8-2-3-10-23(21)24/h2-6,8-12,14-16,18,26,36H,7,13,17,19-20H2,1H3,(H,32,33)(H,34,37)(H,35,38)