4-[[(2S)-2-ethylhexanoyl]amino]butanoate

Systemtic Name: 4-[[(2S)-2-ethylhexanoyl]amino]butanoate Openeye Name: 4-[[(2S)-2-ethylhexanoyl]amino]butanoate CAS Name: 4-[[(2S)-2-ethyl-1-oxohexyl]amino]butanoate IUPAC Name: 4-[[(2S)-2-ethylhexanoyl]amino]butanoate Traditional Name: 4-[[(2S)-2-ethylhexanoyl]amino]butyrate Formula: C12H22NO3- MolecularWeight: 228.30798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NCCCC(=O)[O-]

Isomeric SMILES

CCCC[C@H](CC)C(=O)NCCCC(=O)[O-]

InChI

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