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

Systemtic Name: 2-[3-[(6-azanylhexanoylamino)methyl]-2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[3-[(6-aminohexanoylamino)methyl]-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid CAS Name: 2-[3-[[(6-amino-1-oxohexyl)amino]methyl]-2-oxo-1-(3-phenylpropyl)-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[3-[(6-aminohexanoylamino)methyl]-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid Traditional Name: 2-[3-[(6-aminohexanoylamino)methyl]-2-keto-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid Formula: C22H33N3O4 MolecularWeight: 403.51512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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