(phenylmethyl) (2S)-2-[[5-(4-methylpiperidin-1-yl)carbonyl-1H-imidazol-4-yl]carbonylamino]propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[5-(4-methylpiperidin-1-yl)carbonyl-1H-imidazol-4-yl]carbonylamino]propanoate Openeye Name: benzyl (2S)-2-[[5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]propanoate CAS Name: (2S)-2-[[[5-[(4-methyl-1-piperidinyl)-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]propanoate Traditional Name: (2S)-2-[[5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]propionic acid benzyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2=C(N=CN2)C(=O)NC(C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=C(N=CN2)C(=O)N[C@@H](C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O4/c1-14-8-10-25(11-9-14)20(27)18-17(22-13-23-18)19(26)24-15(2)21(28)29-12-16-6-4-3-5-7-16/h3-7,13-15H,8-12H2,1-2H3,(H,22,23)(H,24,26)/t15-/m0/s1