(2S)-2-azanyl-4-methyl-pentanoic acid; 4-methylpentanoate

Systemtic Name: (2S)-2-azanyl-4-methyl-pentanoic acid; 4-methylpentanoate Openeye Name: (2S)-2-amino-4-methyl-pentanoic acid; 4-methylpentanoate CAS Name: (2S)-2-amino-4-methylpentanoic acid; 4-methylpentanoate IUPAC Name: (2S)-2-amino-4-methylpentanoic acid; 4-methylpentanoate Traditional Name: (2S)-2-amino-4-methyl-valeric acid; 4-methylvalerate Formula: C12H24NO4- MolecularWeight: 246.32326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)[O-].CC(C)CC(C(=O)O)N

Isomeric SMILES

CC(C)CCC(=O)[O-].CC(C)C[C@@H](C(=O)O)N

InChI

InChI=1S/C6H13NO2.C6H12O2/c1-4(2)3-5(7)6(8)9;1-5(2)3-4-6(7)8/h4-5H,3,7H2,1-2H3,(H,8,9);5H,3-4H2,1-2H3,(H,7,8)/p-1/t5-;/m0./s1