2-[3-[(7-azanylheptanoylamino)methyl]-2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[3-[(7-azanylheptanoylamino)methyl]-2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[3-[(7-aminoheptanoylamino)methyl]-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid CAS Name: 2-[3-[[(7-amino-1-oxoheptyl)amino]methyl]-2-oxo-1-(3-phenylpropyl)-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[3-[(7-aminoheptanoylamino)methyl]-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid Traditional Name: 2-[3-[(7-aminoheptanoylamino)methyl]-2-keto-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid Formula: C23H35N3O4 MolecularWeight: 417.5417

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35N3O4/c24-14-7-2-1-6-12-20(27)25-18-23(17-21(28)29)13-16-26(22(23)30)15-8-11-19-9-4-3-5-10-19/h3-5,9-10H,1-2,6-8,11-18,24H2,(H,25,27)(H,28,29)