2-(2-azanylpropanoylamino)-4-methyl-pentanamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-(2-azanylpropanoylamino)-4-methyl-pentanamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-(2-aminopropanoylamino)-4-methyl-pentanamide; 2,2,2-trifluoroacetic acid CAS Name: 2-[(2-amino-1-oxopropyl)amino]-4-methylpentanamide; 2,2,2-trifluoroacetic acid IUPAC Name: 2-(2-aminopropanoylamino)-4-methylpentanamide; 2,2,2-trifluoroacetic acid Traditional Name: 2-(alanylamino)-4-methyl-valeramide; 2,2,2-trifluoroacetic acid Formula: C13H21F6N3O6 MolecularWeight: 429.312759

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NC(=O)C(C)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC(C)CC(C(=O)N)NC(=O)C(C)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C9H19N3O2.2C2HF3O2/c1-5(2)4-7(8(11)13)12-9(14)6(3)10;2*3-2(4,5)1(6)7/h5-7H,4,10H2,1-3H3,(H2,11,13)(H,12,14);2*(H,6,7)