(2S)-2-[[4-chloranyl-3-(2-phenylethynyl)phenyl]carbonylamino]-4-phenyl-butanoic acid

Systemtic Name: (2S)-2-[[4-chloranyl-3-(2-phenylethynyl)phenyl]carbonylamino]-4-phenyl-butanoic acid Openeye Name: (2S)-2-[[4-chloro-3-(2-phenylethynyl)benzoyl]amino]-4-phenyl-butanoic acid CAS Name: (2S)-2-[[[4-chloro-3-(2-phenylethynyl)phenyl]-oxomethyl]amino]-4-phenylbutanoic acid IUPAC Name: (2S)-2-[[4-chloro-3-(2-phenylethynyl)benzoyl]amino]-4-phenylbutanoic acid Traditional Name: (2S)-2-[[4-chloro-3-(2-phenylethynyl)benzoyl]amino]-4-phenyl-butyric acid Formula: C25H20ClNO3 MolecularWeight: 417.8842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(=O)O)NC(=O)C2=CC(=C(C=C2)Cl)C#CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC[C@@H](C(=O)O)NC(=O)C2=CC(=C(C=C2)Cl)C#CC3=CC=CC=C3

InChI

InChI=1S/C25H20ClNO3/c26-22-15-14-21(17-20(22)13-11-18-7-3-1-4-8-18)24(28)27-23(25(29)30)16-12-19-9-5-2-6-10-19/h1-10,14-15,17,23H,12,16H2,(H,27,28)(H,29,30)/t23-/m0/s1