4-[2-(3,3,3-triphenylpropanoylamino)ethanoylamino]butanoic acid

Systemtic Name: 4-[2-(3,3,3-triphenylpropanoylamino)ethanoylamino]butanoic acid Openeye Name: 4-[[2-(3,3,3-triphenylpropanoylamino)acetyl]amino]butanoic acid CAS Name: 4-[[1-oxo-2-[(1-oxo-3,3,3-triphenylpropyl)amino]ethyl]amino]butanoic acid IUPAC Name: 4-[[2-(3,3,3-triphenylpropanoylamino)acetyl]amino]butanoic acid Traditional Name: 4-[[2-(3,3,3-triphenylpropanoylamino)acetyl]amino]butyric acid Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)NCC(=O)NCCCC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)NCC(=O)NCCCC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H28N2O4/c30-24(29-20-25(31)28-18-10-17-26(32)33)19-27(21-11-4-1-5-12-21,22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-9,11-16H,10,17-20H2,(H,28,31)(H,29,30)(H,32,33)