5-[[(2S)-heptan-2-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[[(2S)-heptan-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[[(1S)-1-methylhexyl]amino]-5-oxo-pentanoate CAS Name: 5-[[(2S)-heptan-2-yl]amino]-5-oxopentanoate IUPAC Name: 5-[[(2S)-heptan-2-yl]amino]-5-oxopentanoate Traditional Name: 5-keto-5-[[(1S)-1-methylhexyl]amino]valerate Formula: C12H22NO3- MolecularWeight: 228.30798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CCCC(=O)[O-]

Isomeric SMILES

CCCCC[C@H](C)NC(=O)CCCC(=O)[O-]

InChI

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