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

Systemtic Name: 4-[[(2S)-2-phenylbutanoyl]amino]butanoate Openeye Name: 4-[[(2S)-2-phenylbutanoyl]amino]butanoate CAS Name: 4-[[(2S)-1-oxo-2-phenylbutyl]amino]butanoate IUPAC Name: 4-[[(2S)-2-phenylbutanoyl]amino]butanoate Traditional Name: 4-[[(2S)-2-phenylbutanoyl]amino]butyrate Formula: C14H18NO3- MolecularWeight: 248.29762

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NCCCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3/c1-2-12(11-7-4-3-5-8-11)14(18)15-10-6-9-13(16)17/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,15,18)(H,16,17)/p-1/t12-/m0/s1