2-(2-azanylpropanoylamino)-3-methyl-pentanamide; ethanoic acid

Systemtic Name: 2-(2-azanylpropanoylamino)-3-methyl-pentanamide; ethanoic acid Openeye Name: acetic acid; 2-(2-aminopropanoylamino)-3-methyl-pentanamide CAS Name: acetic acid; 2-[(2-amino-1-oxopropyl)amino]-3-methylpentanamide IUPAC Name: acetic acid; 2-(2-aminopropanoylamino)-3-methylpentanamide Traditional Name: acetic acid; 2-(alanylamino)-3-methyl-valeramide Formula: C11H23N3O4 MolecularWeight: 261.31802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H19N3O2.C2H4O2/c1-4-5(2)7(8(11)13)12-9(14)6(3)10;1-2(3)4/h5-7H,4,10H2,1-3H3,(H2,11,13)(H,12,14);1H3,(H,3,4)