(3R)-3-[[(2S)-2-ethylhexanoyl]amino]-3-phenyl-propanoate

Systemtic Name: (3R)-3-[[(2S)-2-ethylhexanoyl]amino]-3-phenyl-propanoate Openeye Name: (3R)-3-[[(2S)-2-ethylhexanoyl]amino]-3-phenyl-propanoate CAS Name: (3R)-3-[[(2S)-2-ethyl-1-oxohexyl]amino]-3-phenylpropanoate IUPAC Name: (3R)-3-[[(2S)-2-ethylhexanoyl]amino]-3-phenylpropanoate Traditional Name: (3R)-3-[[(2S)-2-ethylhexanoyl]amino]-3-phenyl-propionate Formula: C17H24NO3- MolecularWeight: 290.37736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO3/c1-3-5-9-13(4-2)17(21)18-15(12-16(19)20)14-10-7-6-8-11-14/h6-8,10-11,13,15H,3-5,9,12H2,1-2H3,(H,18,21)(H,19,20)/p-1/t13-,15+/m0/s1