3-[3-[(6-azanylhexanoylamino)methyl]-2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]propanoic acid

Systemtic Name: 3-[3-[(6-azanylhexanoylamino)methyl]-2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]propanoic acid Openeye Name: 3-[3-[(6-aminohexanoylamino)methyl]-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]propanoic acid CAS Name: 3-[3-[[(6-amino-1-oxohexyl)amino]methyl]-2-oxo-1-(3-phenylpropyl)-3-pyrrolidinyl]propanoic acid IUPAC Name: 3-[3-[(6-aminohexanoylamino)methyl]-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]propanoic acid Traditional Name: 3-[3-[(6-aminohexanoylamino)methyl]-2-keto-1-(3-phenylpropyl)pyrrolidin-3-yl]propionic acid Formula: C23H35N3O4 MolecularWeight: 417.5417

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1(CCC(=O)O)CNC(=O)CCCCCN)CCCC2=CC=CC=C2

Isomeric SMILES

C1CN(C(=O)C1(CCC(=O)O)CNC(=O)CCCCCN)CCCC2=CC=CC=C2

InChI

InChI=1S/C23H35N3O4/c24-15-6-2-5-11-20(27)25-18-23(13-12-21(28)29)14-17-26(22(23)30)16-7-10-19-8-3-1-4-9-19/h1,3-4,8-9H,2,5-7,10-18,24H2,(H,25,27)(H,28,29)