(2S)-4-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]heptanoic acid

Systemtic Name: (2S)-4-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]heptanoic acid Openeye Name: (2S)-4-oxo-2-[[(1S)-1-phenylethyl]amino]heptanoic acid CAS Name: (2S)-4-oxo-2-[[(1S)-1-phenylethyl]amino]heptanoic acid IUPAC Name: (2S)-4-oxo-2-[[(1S)-1-phenylethyl]amino]heptanoic acid Traditional Name: (2S)-4-keto-2-[[(1S)-1-phenylethyl]amino]enanthic acid Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)CC(C(=O)O)NC(C)C1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3/c1-3-7-13(17)10-14(15(18)19)16-11(2)12-8-5-4-6-9-12/h4-6,8-9,11,14,16H,3,7,10H2,1-2H3,(H,18,19)/t11-,14-/m0/s1