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

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

Systemtic Name:2-[[3-methyl-2-(octanoylamino)butanoyl]amino]pentanedioic acid
Openeye Name:2-[[3-methyl-2-(octanoylamino)butanoyl]amino]pentanedioic acid
CAS Name:2-[[3-methyl-1-oxo-2-(1-oxooctylamino)butyl]amino]pentanedioic acid
IUPAC Name:2-[[3-methyl-2-(octanoylamino)butanoyl]amino]pentanedioic acid
Traditional Name:2-[[2-(caprylylamino)-3-methyl-butanoyl]amino]glutaric acid
Formula: C18H32N2O6
MolecularWeight: 372.45648
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C18H32N2O6/c1-4-5-6-7-8-9-14(21)20-16(12(2)3)17(24)19-13(18(25)26)10-11-15(22)23/h12-13,16H,4-11H2,1-3H3,(H,19,24)(H,20,21)(H,22,23)(H,25,26)


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