(2S)-2-benzamido-5-oxidanylidene-5-(4-propan-2-ylpiperazin-1-yl)pentanoic acid

Systemtic Name: (2S)-2-benzamido-5-oxidanylidene-5-(4-propan-2-ylpiperazin-1-yl)pentanoic acid Openeye Name: (2S)-2-benzamido-5-(4-isopropylpiperazin-1-yl)-5-oxo-pentanoic acid CAS Name: (2S)-2-benzamido-5-oxo-5-(4-propan-2-yl-1-piperazinyl)pentanoic acid IUPAC Name: (2S)-2-benzamido-5-oxo-5-(4-propan-2-ylpiperazin-1-yl)pentanoic acid Traditional Name: (2S)-2-benzamido-5-(4-isopropylpiperazino)-5-keto-valeric acid Formula: C19H27N3O4 MolecularWeight: 361.43538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C(=O)CCC(C(=O)O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)N1CCN(CC1)C(=O)CC[C@@H](C(=O)O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H27N3O4/c1-14(2)21-10-12-22(13-11-21)17(23)9-8-16(19(25)26)20-18(24)15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,20,24)(H,25,26)/t16-/m0/s1