3-(2-azanylpropanoylamino)-4,5-dimethyl-octanoic acid

Systemtic Name: 3-(2-azanylpropanoylamino)-4,5-dimethyl-octanoic acid Openeye Name: 3-(2-aminopropanoylamino)-4,5-dimethyl-octanoic acid CAS Name: 3-[(2-amino-1-oxopropyl)amino]-4,5-dimethyloctanoic acid IUPAC Name: 3-(2-aminopropanoylamino)-4,5-dimethyloctanoic acid Traditional Name: 3-(alanylamino)-4,5-dimethyl-caprylic acid Formula: C13H26N2O3 MolecularWeight: 258.35714

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(C)C(CC(=O)O)NC(=O)C(C)N

Isomeric SMILES

CCCC(C)C(C)C(CC(=O)O)NC(=O)C(C)N

InChI

InChI=1S/C13H26N2O3/c1-5-6-8(2)9(3)11(7-12(16)17)15-13(18)10(4)14/h8-11H,5-7,14H2,1-4H3,(H,15,18)(H,16,17)