2-[[4-methyl-2-(octanoylamino)pentanoyl]amino]ethanoic acid

Systemtic Name: 2-[[4-methyl-2-(octanoylamino)pentanoyl]amino]ethanoic acid Openeye Name: 2-[[4-methyl-2-(octanoylamino)pentanoyl]amino]acetic acid CAS Name: 2-[[4-methyl-1-oxo-2-(1-oxooctylamino)pentyl]amino]acetic acid IUPAC Name: 2-[[4-methyl-2-(octanoylamino)pentanoyl]amino]acetic acid Traditional Name: 2-[[2-(caprylylamino)-4-methyl-pentanoyl]amino]acetic acid Formula: C16H30N2O4 MolecularWeight: 314.4204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(CC(C)C)C(=O)NCC(=O)O

Isomeric SMILES

CCCCCCCC(=O)NC(CC(C)C)C(=O)NCC(=O)O

InChI

InChI=1S/C16H30N2O4/c1-4-5-6-7-8-9-14(19)18-13(10-12(2)3)16(22)17-11-15(20)21/h12-13H,4-11H2,1-3H3,(H,17,22)(H,18,19)(H,20,21)