4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid; pyrazol-2-ide

Systemtic Name: 4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid; pyrazol-2-ide Openeye Name: 2-(benzyloxycarbonylamino)-4-methyl-pentanoic acid; pyrazol-2-ide CAS Name: 4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid; pyrazol-2-ide IUPAC Name: 4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid; pyrazol-2-ide Traditional Name: 2-(benzyloxycarbonylamino)-4-methyl-valeric acid; pyrazol-2-ide Formula: C17H22N3O4- MolecularWeight: 332.37428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4.C3H3N2/c1-10(2)8-12(13(16)17)15-14(18)19-9-11-6-4-3-5-7-11;1-2-4-5-3-1/h3-7,10,12H,8-9H2,1-2H3,(H,15,18)(H,16,17);1-3H/q;-1