3-[5-[(6-azanylhexanoylamino)methyl]-2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]propanoic acid

Systemtic Name: 3-[5-[(6-azanylhexanoylamino)methyl]-2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]propanoic acid Openeye Name: 3-[5-[(6-aminohexanoylamino)methyl]-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]propanoic acid CAS Name: 3-[5-[[(6-amino-1-oxohexyl)amino]methyl]-2-oxo-1-(3-phenylpropyl)-3-pyrrolidinyl]propanoic acid IUPAC Name: 3-[5-[(6-aminohexanoylamino)methyl]-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]propanoic acid Traditional Name: 3-[5-[(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:

C1C(C(=O)N(C1CNC(=O)CCCCCN)CCCC2=CC=CC=C2)CCC(=O)O

Isomeric SMILES

C1C(C(=O)N(C1CNC(=O)CCCCCN)CCCC2=CC=CC=C2)CCC(=O)O

InChI

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