2-[[3-methyl-2-[2-(octanoylamino)propanoylamino]butanoyl]amino]ethanoic acid

Systemtic Name: 2-[[3-methyl-2-[2-(octanoylamino)propanoylamino]butanoyl]amino]ethanoic acid Openeye Name: 2-[[3-methyl-2-[2-(octanoylamino)propanoylamino]butanoyl]amino]acetic acid CAS Name: 2-[[3-methyl-1-oxo-2-[[1-oxo-2-(1-oxooctylamino)propyl]amino]butyl]amino]acetic acid IUPAC Name: 2-[[3-methyl-2-[2-(octanoylamino)propanoylamino]butanoyl]amino]acetic acid Traditional Name: 2-[[2-[2-(caprylylamino)propanoylamino]-3-methyl-butanoyl]amino]acetic acid Formula: C18H33N3O5 MolecularWeight: 371.47172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H33N3O5/c1-5-6-7-8-9-10-14(22)20-13(4)17(25)21-16(12(2)3)18(26)19-11-15(23)24/h12-13,16H,5-11H2,1-4H3,(H,19,26)(H,20,22)(H,21,25)(H,23,24)