[2-[(4-methylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] (2S)-2-benzamido-4-methyl-pentanoate

Systemtic Name: [2-[(4-methylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] (2S)-2-benzamido-4-methyl-pentanoate Openeye Name: [2-[(4-methyl-2-pyridyl)amino]-2-oxo-ethyl] (2S)-2-benzamido-4-methyl-pentanoate CAS Name: (2S)-2-benzamido-4-methylpentanoic acid [2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylpyridin-2-yl)amino]-2-oxoethyl] (2S)-2-benzamido-4-methylpentanoate Traditional Name: (2S)-2-benzamido-4-methyl-valeric acid [2-keto-2-[(4-methyl-2-pyridyl)amino]ethyl] ester Formula: C21H25N3O4 MolecularWeight: 383.4409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NC(=O)COC(=O)C(CC(C)C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=NC=C1)NC(=O)COC(=O)[C@H](CC(C)C)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H25N3O4/c1-14(2)11-17(23-20(26)16-7-5-4-6-8-16)21(27)28-13-19(25)24-18-12-15(3)9-10-22-18/h4-10,12,14,17H,11,13H2,1-3H3,(H,23,26)(H,22,24,25)/t17-/m0/s1