3-methyl-2-[2-(octanoylamino)propanoylamino]butanoic acid

Systemtic Name: 3-methyl-2-[2-(octanoylamino)propanoylamino]butanoic acid Openeye Name: 3-methyl-2-[2-(octanoylamino)propanoylamino]butanoic acid CAS Name: 3-methyl-2-[[1-oxo-2-(1-oxooctylamino)propyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[2-(octanoylamino)propanoylamino]butanoic acid Traditional Name: 2-[2-(caprylylamino)propanoylamino]-3-methyl-butyric acid Formula: C16H30N2O4 MolecularWeight: 314.4204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(C)C(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CCCCCCCC(=O)NC(C)C(=O)NC(C(C)C)C(=O)O

InChI

InChI=1S/C16H30N2O4/c1-5-6-7-8-9-10-13(19)17-12(4)15(20)18-14(11(2)3)16(21)22/h11-12,14H,5-10H2,1-4H3,(H,17,19)(H,18,20)(H,21,22)