4-[(2S)-2-azanyl-3-oxidanylidene-3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]propyl]benzoic acid

Systemtic Name: 4-[(2S)-2-azanyl-3-oxidanylidene-3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]propyl]benzoic acid Openeye Name: 4-[(2S)-2-amino-3-oxo-3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)-1-piperidyl]propyl]benzoic acid CAS Name: 4-[(2S)-2-amino-3-oxo-3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)-1-piperidinyl]propyl]benzoic acid IUPAC Name: 4-[(2S)-2-amino-3-oxo-3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]propyl]benzoic acid Traditional Name: 4-[(2S)-2-amino-3-keto-3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidino]propyl]benzoic acid Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=NC=C(N2)C3=CC=CC=C3)C(=O)C(CC4=CC=C(C=C4)C(=O)O)N

Isomeric SMILES

C1CCN([C@@H](C1)C2=NC=C(N2)C3=CC=CC=C3)C(=O)[C@H](CC4=CC=C(C=C4)C(=O)O)N

InChI

InChI=1S/C24H26N4O3/c25-19(14-16-9-11-18(12-10-16)24(30)31)23(29)28-13-5-4-8-21(28)22-26-15-20(27-22)17-6-2-1-3-7-17/h1-3,6-7,9-12,15,19,21H,4-5,8,13-14,25H2,(H,26,27)(H,30,31)/t19-,21-/m0/s1