3-naphthalen-2-yl-2-[[3-naphthalen-2-yl-2-(piperidin-4-ylcarbonylamino)propanoyl]amino]propanoic acid

Systemtic Name: 3-naphthalen-2-yl-2-[[3-naphthalen-2-yl-2-(piperidin-4-ylcarbonylamino)propanoyl]amino]propanoic acid Openeye Name: 3-(2-naphthyl)-2-[[3-(2-naphthyl)-2-(piperidine-4-carbonylamino)propanoyl]amino]propanoic acid CAS Name: 3-(2-naphthalenyl)-2-[[3-(2-naphthalenyl)-1-oxo-2-[[oxo(4-piperidinyl)methyl]amino]propyl]amino]propanoic acid IUPAC Name: 3-naphthalen-2-yl-2-[[3-naphthalen-2-yl-2-(piperidine-4-carbonylamino)propanoyl]amino]propanoic acid Traditional Name: 2-[[2-(isonipecotoylamino)-3-(2-naphthyl)propanoyl]amino]-3-(2-naphthyl)propionic acid Formula: C32H33N3O4 MolecularWeight: 523.62212

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)NC(CC4=CC5=CC=CC=C5C=C4)C(=O)O

Isomeric SMILES

C1CNCCC1C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)NC(CC4=CC5=CC=CC=C5C=C4)C(=O)O

InChI

InChI=1S/C32H33N3O4/c36-30(25-13-15-33-16-14-25)34-28(19-21-9-11-23-5-1-3-7-26(23)17-21)31(37)35-29(32(38)39)20-22-10-12-24-6-2-4-8-27(24)18-22/h1-12,17-18,25,28-29,33H,13-16,19-20H2,(H,34,36)(H,35,37)(H,38,39)