(2R)-2-[[(2S)-2-ethylhexyl]azaniumyl]-4-(naphthalen-1-ylamino)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-[[(2S)-2-ethylhexyl]azaniumyl]-4-(naphthalen-1-ylamino)-4-oxidanylidene-butanoate Openeye Name: (2R)-2-[[(2S)-2-ethylhexyl]ammonio]-4-(1-naphthylamino)-4-oxo-butanoate CAS Name: (2R)-2-[[(2S)-2-ethylhexyl]ammonio]-4-(1-naphthalenylamino)-4-oxobutanoate IUPAC Name: (2R)-2-[[(2S)-2-ethylhexyl]azaniumyl]-4-(naphthalen-1-ylamino)-4-oxobutanoate Traditional Name: (2R)-2-[[(2S)-2-ethylhexyl]ammonio]-4-keto-4-(1-naphthylamino)butyrate Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C[NH2+]C(CC(=O)NC1=CC=CC2=CC=CC=C21)C(=O)[O-]

Isomeric SMILES

CCCC[C@H](CC)C[NH2+][C@H](CC(=O)NC1=CC=CC2=CC=CC=C21)C(=O)[O-]

InChI

InChI=1S/C22H30N2O3/c1-3-5-9-16(4-2)15-23-20(22(26)27)14-21(25)24-19-13-8-11-17-10-6-7-12-18(17)19/h6-8,10-13,16,20,23H,3-5,9,14-15H2,1-2H3,(H,24,25)(H,26,27)/t16-,20+/m0/s1