2-(butoxycarbonylamino)-4-methyl-pentanoic acid; 3,5-dimethylpyrazol-2-ide

Systemtic Name: 2-(butoxycarbonylamino)-4-methyl-pentanoic acid; 3,5-dimethylpyrazol-2-ide Openeye Name: 2-(butoxycarbonylamino)-4-methyl-pentanoic acid; 3,5-dimethylpyrazol-2-ide CAS Name: 2-[[butoxy(oxo)methyl]amino]-4-methylpentanoic acid; 3,5-dimethylpyrazol-2-ide IUPAC Name: 2-(butoxycarbonylamino)-4-methylpentanoic acid; 3,5-dimethylpyrazol-2-ide Traditional Name: 2-(butoxycarbonylamino)-4-methyl-valeric acid; 3,5-dimethylpyrazol-2-ide Formula: C16H28N3O4- MolecularWeight: 326.41122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC(CC(C)C)C(=O)O.CC1=CC(=N[N-]1)C

Isomeric SMILES

CCCCOC(=O)NC(CC(C)C)C(=O)O.CC1=CC(=N[N-]1)C

InChI

InChI=1S/C11H21NO4.C5H7N2/c1-4-5-6-16-11(15)12-9(10(13)14)7-8(2)3;1-4-3-5(2)7-6-4/h8-9H,4-7H2,1-3H3,(H,12,15)(H,13,14);3H,1-2H3/q;-1