(2S)-2-benzamido-3-methyl-butanoic acid; piperazine

Systemtic Name: (2S)-2-benzamido-3-methyl-butanoic acid; piperazine Openeye Name: (2S)-2-benzamido-3-methyl-butanoic acid; piperazine CAS Name: (2S)-2-benzamido-3-methylbutanoic acid; piperazine IUPAC Name: (2S)-2-benzamido-3-methylbutanoic acid; piperazine Traditional Name: (2S)-2-benzamido-3-methyl-butyric acid; piperazine Formula: C28H40N4O6 MolecularWeight: 528.6404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=CC=CC=C1.CC(C)C(C(=O)O)NC(=O)C1=CC=CC=C1.C1CNCCN1

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)C1=CC=CC=C1.CC(C)[C@@H](C(=O)O)NC(=O)C1=CC=CC=C1.C1CNCCN1

InChI

InChI=1S/2C12H15NO3.C4H10N2/c2*1-8(2)10(12(15)16)13-11(14)9-6-4-3-5-7-9;1-2-6-4-3-5-1/h2*3-8,10H,1-2H3,(H,13,14)(H,15,16);5-6H,1-4H2/t2*10-;/m00./s1