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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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