4-[[(3S)-octan-3-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(3S)-octan-3-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(1S)-1-ethylhexyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[(3S)-octan-3-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[(3S)-octan-3-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[(1S)-1-ethylhexyl]amino]-4-keto-butyric acid Formula: C12H23NO3 MolecularWeight: 229.31592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)NC(=O)CCC(=O)O

Isomeric SMILES

CCCCC[C@H](CC)NC(=O)CCC(=O)O

InChI

InChI=1S/C12H23NO3/c1-3-5-6-7-10(4-2)13-11(14)8-9-12(15)16/h10H,3-9H2,1-2H3,(H,13,14)(H,15,16)/t10-/m0/s1