2-[3-[(6-azanylhexanoylamino)methyl]-1-(2-naphthalen-2-ylethyl)-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[3-[(6-azanylhexanoylamino)methyl]-1-(2-naphthalen-2-ylethyl)-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[3-[(6-aminohexanoylamino)methyl]-1-[2-(2-naphthyl)ethyl]-2-oxo-pyrrolidin-3-yl]acetic acid CAS Name: 2-[3-[[(6-amino-1-oxohexyl)amino]methyl]-1-[2-(2-naphthalenyl)ethyl]-2-oxo-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[3-[(6-aminohexanoylamino)methyl]-1-(2-naphthalen-2-ylethyl)-2-oxopyrrolidin-3-yl]acetic acid Traditional Name: 2-[3-[(6-aminohexanoylamino)methyl]-2-keto-1-[2-(2-naphthyl)ethyl]pyrrolidin-3-yl]acetic acid Formula: C25H33N3O4 MolecularWeight: 439.54722

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1(CC(=O)O)CNC(=O)CCCCCN)CCC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1CN(C(=O)C1(CC(=O)O)CNC(=O)CCCCCN)CCC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C25H33N3O4/c26-13-5-1-2-8-22(29)27-18-25(17-23(30)31)12-15-28(24(25)32)14-11-19-9-10-20-6-3-4-7-21(20)16-19/h3-4,6-7,9-10,16H,1-2,5,8,11-15,17-18,26H2,(H,27,29)(H,30,31)