(2S)-2-(3-morpholin-4-ylpropylazaniumyl)-4-(naphthalen-2-ylamino)-4-oxidanylidene-butanoate

Systemtic Name: (2S)-2-(3-morpholin-4-ylpropylazaniumyl)-4-(naphthalen-2-ylamino)-4-oxidanylidene-butanoate Openeye Name: (2S)-2-(3-morpholinopropylammonio)-4-(2-naphthylamino)-4-oxo-butanoate CAS Name: (2S)-2-[3-(4-morpholinyl)propylammonio]-4-(2-naphthalenylamino)-4-oxobutanoate IUPAC Name: (2S)-2-(3-morpholin-4-ylpropylazaniumyl)-4-(naphthalen-2-ylamino)-4-oxobutanoate Traditional Name: (2S)-4-keto-2-(3-morpholinopropylammonio)-4-(2-naphthylamino)butyrate Formula: C21H27N3O4 MolecularWeight: 385.45678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCC[NH2+]C(CC(=O)NC2=CC3=CC=CC=C3C=C2)C(=O)[O-]

Isomeric SMILES

C1COCCN1CCC[NH2+][C@@H](CC(=O)NC2=CC3=CC=CC=C3C=C2)C(=O)[O-]

InChI

InChI=1S/C21H27N3O4/c25-20(23-18-7-6-16-4-1-2-5-17(16)14-18)15-19(21(26)27)22-8-3-9-24-10-12-28-13-11-24/h1-2,4-7,14,19,22H,3,8-13,15H2,(H,23,25)(H,26,27)/t19-/m0/s1