(2S)-2-[[(2S)-2-ethylhexanoyl]amino]-2-phenyl-ethanoate

Systemtic Name: (2S)-2-[[(2S)-2-ethylhexanoyl]amino]-2-phenyl-ethanoate Openeye Name: (2S)-2-[[(2S)-2-ethylhexanoyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[(2S)-2-ethyl-1-oxohexyl]amino]-2-phenylacetate IUPAC Name: (2S)-2-[[(2S)-2-ethylhexanoyl]amino]-2-phenylacetate Traditional Name: (2S)-2-[[(2S)-2-ethylhexanoyl]amino]-2-phenyl-acetate Formula: C16H22NO3- MolecularWeight: 276.35078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC(C1=CC=CC=C1)C(=O)[O-]

Isomeric SMILES

CCCC[C@H](CC)C(=O)N[C@@H](C1=CC=CC=C1)C(=O)[O-]

InChI

InChI=1S/C16H23NO3/c1-3-5-9-12(4-2)15(18)17-14(16(19)20)13-10-7-6-8-11-13/h6-8,10-12,14H,3-5,9H2,1-2H3,(H,17,18)(H,19,20)/p-1/t12-,14-/m0/s1