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

Systemtic Name: methyl (2S)-4-methyl-2-[[2-phenyl-5-(pyridin-4-ylmethylamino)phenyl]carbonylamino]pentanoate Openeye Name: methyl (2S)-4-methyl-2-[[2-phenyl-5-(4-pyridylmethylamino)benzoyl]amino]pentanoate CAS Name: (2S)-4-methyl-2-[[oxo-[2-phenyl-5-(pyridin-4-ylmethylamino)phenyl]methyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-4-methyl-2-[[2-phenyl-5-(pyridin-4-ylmethylamino)benzoyl]amino]pentanoate Traditional Name: (2S)-4-methyl-2-[[2-phenyl-5-(4-pyridylmethylamino)benzoyl]amino]valeric acid methyl ester Formula: C26H29N3O3 MolecularWeight: 431.52676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O3/c1-18(2)15-24(26(31)32-3)29-25(30)23-16-21(28-17-19-11-13-27-14-12-19)9-10-22(23)20-7-5-4-6-8-20/h4-14,16,18,24,28H,15,17H2,1-3H3,(H,29,30)/t24-/m0/s1