(2S,3S)-2-[[(2S)-2-azaniumyl-2-phenyl-ethanoyl]amino]-3-methyl-pentanoate

Systemtic Name: (2S,3S)-2-[[(2S)-2-azaniumyl-2-phenyl-ethanoyl]amino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[[(2S)-2-azaniumyl-2-phenyl-acetyl]amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[(2S)-2-ammonio-1-oxo-2-phenylethyl]amino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[[(2S)-2-azaniumyl-2-phenylacetyl]amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[[(2S)-2-ammonio-2-phenyl-acetyl]amino]-3-methyl-valerate Formula: C14H20N2O3 MolecularWeight: 264.3202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)C(C1=CC=CC=C1)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)[C@H](C1=CC=CC=C1)[NH3+]

InChI

InChI=1S/C14H20N2O3/c1-3-9(2)12(14(18)19)16-13(17)11(15)10-7-5-4-6-8-10/h4-9,11-12H,3,15H2,1-2H3,(H,16,17)(H,18,19)/t9-,11-,12-/m0/s1