(2R)-4-oxidanylidene-2-piperazin-1-yl-4-[(2,4,6-trimethylphenyl)amino]butanoic acid

Systemtic Name: (2R)-4-oxidanylidene-2-piperazin-1-yl-4-[(2,4,6-trimethylphenyl)amino]butanoic acid Openeye Name: (2R)-4-oxo-2-piperazin-1-yl-4-(2,4,6-trimethylanilino)butanoic acid CAS Name: (2R)-4-oxo-2-(1-piperazinyl)-4-(2,4,6-trimethylanilino)butanoic acid IUPAC Name: (2R)-4-oxo-2-piperazin-1-yl-4-(2,4,6-trimethylanilino)butanoic acid Traditional Name: (2R)-4-keto-4-mesidino-2-piperazino-butyric acid Formula: C17H25N3O3 MolecularWeight: 319.3987

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CC(C(=O)O)N2CCNCC2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C[C@H](C(=O)O)N2CCNCC2)C

InChI

InChI=1S/C17H25N3O3/c1-11-8-12(2)16(13(3)9-11)19-15(21)10-14(17(22)23)20-6-4-18-5-7-20/h8-9,14,18H,4-7,10H2,1-3H3,(H,19,21)(H,22,23)/t14-/m1/s1