(2S)-2-benzamido-5-oxidanylidene-5-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]pentanoic acid

Systemtic Name: (2S)-2-benzamido-5-oxidanylidene-5-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]pentanoic acid Openeye Name: (2S)-2-benzamido-5-oxo-5-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]pentanoic acid CAS Name: (2S)-2-benzamido-5-oxo-5-[4-(2,4,6-trimethylphenyl)-1-piperazinyl]pentanoic acid IUPAC Name: (2S)-2-benzamido-5-oxo-5-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]pentanoic acid Traditional Name: (2S)-2-benzamido-5-keto-5-(4-mesitylpiperazino)valeric acid Formula: C25H31N3O4 MolecularWeight: 437.53134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)N2CCN(CC2)C(=O)CCC(C(=O)O)NC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)N2CCN(CC2)C(=O)CC[C@@H](C(=O)O)NC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C25H31N3O4/c1-17-15-18(2)23(19(3)16-17)28-13-11-27(12-14-28)22(29)10-9-21(25(31)32)26-24(30)20-7-5-4-6-8-20/h4-8,15-16,21H,9-14H2,1-3H3,(H,26,30)(H,31,32)/t21-/m0/s1