5-[[(2S)-2-ethylhexyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[(2S)-2-ethylhexyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[(2S)-2-ethylhexyl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[(2S)-2-ethylhexyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[(2S)-2-ethylhexyl]amino]-5-oxopentanoic acid Traditional Name: 5-[[(2S)-2-ethylhexyl]amino]-5-keto-valeric acid Formula: C13H25NO3 MolecularWeight: 243.3425

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)CCCC(=O)O

Isomeric SMILES

CCCC[C@H](CC)CNC(=O)CCCC(=O)O

InChI

InChI=1S/C13H25NO3/c1-3-5-7-11(4-2)10-14-12(15)8-6-9-13(16)17/h11H,3-10H2,1-2H3,(H,14,15)(H,16,17)/t11-/m0/s1