(3S)-4-azanyl-4-oxidanylidene-3-(4-pentoxyphenyl)butanoate

Systemtic Name: (3S)-4-azanyl-4-oxidanylidene-3-(4-pentoxyphenyl)butanoate Openeye Name: (3S)-4-amino-4-oxo-3-(4-pentoxyphenyl)butanoate CAS Name: (3S)-4-amino-4-oxo-3-(4-pentoxyphenyl)butanoate IUPAC Name: (3S)-4-amino-4-oxo-3-(4-pentoxyphenyl)butanoate Traditional Name: (3S)-4-amino-3-(4-amoxyphenyl)-4-keto-butyrate Formula: C15H20NO4- MolecularWeight: 278.3236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(CC(=O)[O-])C(=O)N

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)[C@H](CC(=O)[O-])C(=O)N

InChI

InChI=1S/C15H21NO4/c1-2-3-4-9-20-12-7-5-11(6-8-12)13(15(16)19)10-14(17)18/h5-8,13H,2-4,9-10H2,1H3,(H2,16,19)(H,17,18)/p-1/t13-/m0/s1