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

Systemtic Name: 3,5-dimethylpyrazol-2-ide; 4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-4-methyl-pentanoic acid; 3,5-dimethylpyrazol-2-ide CAS Name: 3,5-dimethylpyrazol-2-ide; 4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 3,5-dimethylpyrazol-2-ide; 4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-4-methyl-valeric acid; 3,5-dimethylpyrazol-2-ide Formula: C19H26N3O4- MolecularWeight: 360.42744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=N[N-]1)C.CC(C)CC(C(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC1=CC(=N[N-]1)C.CC(C)CC(C(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C14H19NO4.C5H7N2/c1-10(2)8-12(13(16)17)15-14(18)19-9-11-6-4-3-5-7-11;1-4-3-5(2)7-6-4/h3-7,10,12H,8-9H2,1-2H3,(H,15,18)(H,16,17);3H,1-2H3/q;-1