(4S)-4-azaniumyl-5-[(4-methoxynaphthalen-2-yl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: (4S)-4-azaniumyl-5-[(4-methoxynaphthalen-2-yl)amino]-5-oxidanylidene-pentanoate Openeye Name: (4S)-4-azaniumyl-5-[(4-methoxy-2-naphthyl)amino]-5-oxo-pentanoate CAS Name: (4S)-4-ammonio-5-[(4-methoxy-2-naphthalenyl)amino]-5-oxopentanoate IUPAC Name: (4S)-4-azaniumyl-5-[(4-methoxynaphthalen-2-yl)amino]-5-oxopentanoate Traditional Name: (4S)-4-ammonio-5-keto-5-[(4-methoxy-2-naphthyl)amino]valerate Formula: C16H18N2O4 MolecularWeight: 302.32512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=CC=CC=C21)NC(=O)C(CCC(=O)[O-])[NH3+]

Isomeric SMILES

COC1=CC(=CC2=CC=CC=C21)NC(=O)[C@H](CCC(=O)[O-])[NH3+]

InChI

InChI=1S/C16H18N2O4/c1-22-14-9-11(8-10-4-2-3-5-12(10)14)18-16(21)13(17)6-7-15(19)20/h2-5,8-9,13H,6-7,17H2,1H3,(H,18,21)(H,19,20)/t13-/m0/s1