2-[(2-ethyl-2-pyrrolidin-1-ylcarbonyl-butanoyl)amino]-3-[4-(phenylcarbonyl)phenyl]propanoic acid

Systemtic Name: 2-[(2-ethyl-2-pyrrolidin-1-ylcarbonyl-butanoyl)amino]-3-[4-(phenylcarbonyl)phenyl]propanoic acid Openeye Name: 3-(4-benzoylphenyl)-2-[[2-ethyl-2-(pyrrolidine-1-carbonyl)butanoyl]amino]propanoic acid CAS Name: 3-(4-benzoylphenyl)-2-[[2-ethyl-1-oxo-2-[oxo(1-pyrrolidinyl)methyl]butyl]amino]propanoic acid IUPAC Name: 3-(4-benzoylphenyl)-2-[[2-ethyl-2-(pyrrolidine-1-carbonyl)butanoyl]amino]propanoic acid Traditional Name: 3-(4-benzoylphenyl)-2-[[2-ethyl-2-(pyrrolidine-1-carbonyl)butanoyl]amino]propionic acid Formula: C27H32N2O5 MolecularWeight: 464.55338

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)NC(CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)C(=O)O)C(=O)N3CCCC3

Isomeric SMILES

CCC(CC)(C(=O)NC(CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)C(=O)O)C(=O)N3CCCC3

InChI

InChI=1S/C27H32N2O5/c1-3-27(4-2,26(34)29-16-8-9-17-29)25(33)28-22(24(31)32)18-19-12-14-21(15-13-19)23(30)20-10-6-5-7-11-20/h5-7,10-15,22H,3-4,8-9,16-18H2,1-2H3,(H,28,33)(H,31,32)