2-[4-[2-(4-azanylbutanoylamino)phenyl]-3-methanoyl-2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[4-[2-(4-azanylbutanoylamino)phenyl]-3-methanoyl-2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[4-[2-(4-aminobutanoylamino)phenyl]-3-formyl-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid CAS Name: 2-[4-[2-[(4-amino-1-oxobutyl)amino]phenyl]-3-formyl-2-oxo-1-(3-phenylpropyl)-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[4-[2-(4-aminobutanoylamino)phenyl]-3-formyl-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid Traditional Name: 2-[4-[2-(4-aminobutanoylamino)phenyl]-3-formyl-2-keto-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid Formula: C26H31N3O5 MolecularWeight: 465.54144

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(=O)N1CCCC2=CC=CC=C2)(CC(=O)O)C=O)C3=CC=CC=C3NC(=O)CCCN

Isomeric SMILES

C1C(C(C(=O)N1CCCC2=CC=CC=C2)(CC(=O)O)C=O)C3=CC=CC=C3NC(=O)CCCN

InChI

InChI=1S/C26H31N3O5/c27-14-6-13-23(31)28-22-12-5-4-11-20(22)21-17-29(15-7-10-19-8-2-1-3-9-19)25(34)26(21,18-30)16-24(32)33/h1-5,8-9,11-12,18,21H,6-7,10,13-17,27H2,(H,28,31)(H,32,33)