(2S)-4-methyl-2-[[2-phenyl-5-(pyridin-4-ylmethylamino)phenyl]carbonylamino]pentanoic acid

Systemtic Name: (2S)-4-methyl-2-[[2-phenyl-5-(pyridin-4-ylmethylamino)phenyl]carbonylamino]pentanoic acid Openeye Name: (2S)-4-methyl-2-[[2-phenyl-5-(4-pyridylmethylamino)benzoyl]amino]pentanoic acid CAS Name: (2S)-4-methyl-2-[[oxo-[2-phenyl-5-(pyridin-4-ylmethylamino)phenyl]methyl]amino]pentanoic acid IUPAC Name: (2S)-4-methyl-2-[[2-phenyl-5-(pyridin-4-ylmethylamino)benzoyl]amino]pentanoic acid Traditional Name: (2S)-4-methyl-2-[[2-phenyl-5-(4-pyridylmethylamino)benzoyl]amino]valeric acid Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=C(C=CC(=C1)NCC2=CC=NC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)C1=C(C=CC(=C1)NCC2=CC=NC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H27N3O3/c1-17(2)14-23(25(30)31)28-24(29)22-15-20(27-16-18-10-12-26-13-11-18)8-9-21(22)19-6-4-3-5-7-19/h3-13,15,17,23,27H,14,16H2,1-2H3,(H,28,29)(H,30,31)/t23-/m0/s1