2-acetamido-4-methyl-pentanoic acid; 3-azanylpentanenitrile

Systemtic Name: 2-acetamido-4-methyl-pentanoic acid; 3-azanylpentanenitrile Openeye Name: 2-acetamido-4-methyl-pentanoic acid; 3-aminopentanenitrile CAS Name: 2-acetamido-4-methylpentanoic acid; 3-aminopentanenitrile IUPAC Name: 2-acetamido-4-methylpentanoic acid; 3-aminopentanenitrile Traditional Name: 2-acetamido-4-methyl-valeric acid; 3-aminovaleronitrile Formula: C13H25N3O3 MolecularWeight: 271.3559

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC#N)N.CC(C)CC(C(=O)O)NC(=O)C

Isomeric SMILES

CCC(CC#N)N.CC(C)CC(C(=O)O)NC(=O)C

InChI

InChI=1S/C8H15NO3.C5H10N2/c1-5(2)4-7(8(11)12)9-6(3)10;1-2-5(7)3-4-6/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12);5H,2-3,7H2,1H3