(2R)-4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-2-piperazin-1-yl-butanoic acid

Systemtic Name: (2R)-4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-2-piperazin-1-yl-butanoic acid Openeye Name: (2R)-4-(2,5-dimethylanilino)-4-oxo-2-piperazin-1-yl-butanoic acid CAS Name: (2R)-4-(2,5-dimethylanilino)-4-oxo-2-(1-piperazinyl)butanoic acid IUPAC Name: (2R)-4-(2,5-dimethylanilino)-4-oxo-2-piperazin-1-ylbutanoic acid Traditional Name: (2R)-4-(2,5-dimethylanilino)-4-keto-2-piperazino-butyric acid Formula: C16H23N3O3 MolecularWeight: 305.37212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3/c1-11-3-4-12(2)13(9-11)18-15(20)10-14(16(21)22)19-7-5-17-6-8-19/h3-4,9,14,17H,5-8,10H2,1-2H3,(H,18,20)(H,21,22)/t14-/m1/s1