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

Systemtic Name: 3-[5-[(5-azanylpentanoylamino)methyl]-2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]propanoic acid Openeye Name: 3-[5-[(5-aminopentanoylamino)methyl]-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]propanoic acid CAS Name: 3-[5-[[(5-amino-1-oxopentyl)amino]methyl]-2-oxo-1-(3-phenylpropyl)-3-pyrrolidinyl]propanoic acid IUPAC Name: 3-[5-[(5-aminopentanoylamino)methyl]-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]propanoic acid Traditional Name: 3-[5-[(5-aminopentanoylamino)methyl]-2-keto-1-(3-phenylpropyl)pyrrolidin-3-yl]propionic acid Formula: C22H33N3O4 MolecularWeight: 403.51512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O4/c23-13-5-4-10-20(26)24-16-19-15-18(11-12-21(27)28)22(29)25(19)14-6-9-17-7-2-1-3-8-17/h1-3,7-8,18-19H,4-6,9-16,23H2,(H,24,26)(H,27,28)