3-(4-naphthalen-1-ylphenyl)-3-[2-[5-(pyridin-2-ylamino)pentanoylamino]ethanoylamino]propanoic acid

Systemtic Name: 3-(4-naphthalen-1-ylphenyl)-3-[2-[5-(pyridin-2-ylamino)pentanoylamino]ethanoylamino]propanoic acid Openeye Name: 3-[4-(1-naphthyl)phenyl]-3-[[2-[5-(2-pyridylamino)pentanoylamino]acetyl]amino]propanoic acid CAS Name: 3-[4-(1-naphthalenyl)phenyl]-3-[[1-oxo-2-[[1-oxo-5-(2-pyridinylamino)pentyl]amino]ethyl]amino]propanoic acid IUPAC Name: 3-(4-naphthalen-1-ylphenyl)-3-[[2-[5-(pyridin-2-ylamino)pentanoylamino]acetyl]amino]propanoic acid Traditional Name: 3-[4-(1-naphthyl)phenyl]-3-[[2-[5-(2-pyridylamino)pentanoylamino]acetyl]amino]propionic acid Formula: C31H32N4O4 MolecularWeight: 524.61018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C3=CC=C(C=C3)C(CC(=O)O)NC(=O)CNC(=O)CCCCNC4=CC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=CC=C(C=C3)C(CC(=O)O)NC(=O)CNC(=O)CCCCNC4=CC=CC=N4

InChI

InChI=1S/C31H32N4O4/c36-29(13-4-6-19-33-28-12-3-5-18-32-28)34-21-30(37)35-27(20-31(38)39)24-16-14-23(15-17-24)26-11-7-9-22-8-1-2-10-25(22)26/h1-3,5,7-12,14-18,27H,4,6,13,19-21H2,(H,32,33)(H,34,36)(H,35,37)(H,38,39)