(phenylmethyl) 6-[2-(2-azanyl-3-oxidanylidene-3-pyrrolidin-1-yl-propoxy)ethanoylamino]hexanoate

Systemtic Name: (phenylmethyl) 6-[2-(2-azanyl-3-oxidanylidene-3-pyrrolidin-1-yl-propoxy)ethanoylamino]hexanoate Openeye Name: benzyl 6-[[2-(2-amino-3-oxo-3-pyrrolidin-1-yl-propoxy)acetyl]amino]hexanoate CAS Name: 6-[[2-[2-amino-3-oxo-3-(1-pyrrolidinyl)propoxy]-1-oxoethyl]amino]hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[[2-(2-amino-3-oxo-3-pyrrolidin-1-ylpropoxy)acetyl]amino]hexanoate Traditional Name: 6-[[2-(2-amino-3-keto-3-pyrrolidino-propoxy)acetyl]amino]hexanoic acid benzyl ester Formula: C22H33N3O5 MolecularWeight: 419.51452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(COCC(=O)NCCCCCC(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

C1CCN(C1)C(=O)C(COCC(=O)NCCCCCC(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C22H33N3O5/c23-19(22(28)25-13-7-8-14-25)16-29-17-20(26)24-12-6-2-5-11-21(27)30-15-18-9-3-1-4-10-18/h1,3-4,9-10,19H,2,5-8,11-17,23H2,(H,24,26)