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

Systemtic Name: 2-[[3-naphthalen-2-yl-2-[[3-naphthalen-2-yl-2-(piperidin-4-ylcarbonylamino)propanoyl]amino]propanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[3-(2-naphthyl)-2-[[3-(2-naphthyl)-2-(piperidine-4-carbonylamino)propanoyl]amino]propanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[3-(2-naphthalenyl)-2-[[3-(2-naphthalenyl)-1-oxo-2-[[oxo(4-piperidinyl)methyl]amino]propyl]amino]-1-oxopropyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-naphthalen-2-yl-2-[[3-naphthalen-2-yl-2-(piperidine-4-carbonylamino)propanoyl]amino]propanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[[2-(isonipecotoylamino)-3-(2-naphthyl)propanoyl]amino]-3-(2-naphthyl)propanoyl]amino]-3-phenyl-propionic acid Formula: C41H42N4O5 MolecularWeight: 670.79598

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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)NC(CC6=CC=CC=C6)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)NC(CC6=CC=CC=C6)C(=O)O

InChI

InChI=1S/C41H42N4O5/c46-38(32-18-20-42-21-19-32)43-35(25-28-14-16-30-10-4-6-12-33(30)22-28)39(47)44-36(26-29-15-17-31-11-5-7-13-34(31)23-29)40(48)45-37(41(49)50)24-27-8-2-1-3-9-27/h1-17,22-23,32,35-37,42H,18-21,24-26H2,(H,43,46)(H,44,47)(H,45,48)(H,49,50)