(2S)-4-[(4-acetamidophenyl)amino]-2-[3-(diethylazaniumyl)propylazaniumyl]-4-oxidanylidene-butanoate

Systemtic Name: (2S)-4-[(4-acetamidophenyl)amino]-2-[3-(diethylazaniumyl)propylazaniumyl]-4-oxidanylidene-butanoate Openeye Name: (2S)-4-(4-acetamidoanilino)-2-[3-(diethylammonio)propylammonio]-4-oxo-butanoate CAS Name: (2S)-4-(4-acetamidoanilino)-2-[3-(diethylammonio)propylammonio]-4-oxobutanoate IUPAC Name: (2S)-4-(4-acetamidoanilino)-2-[3-(diethylazaniumyl)propylazaniumyl]-4-oxobutanoate Traditional Name: (2S)-4-(4-acetamidoanilino)-2-[3-(diethylammonio)propylammonio]-4-keto-butyrate Formula: C19H31N4O4+ MolecularWeight: 379.47384

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC[NH2+]C(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCC[NH2+][C@@H](CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)[O-]

InChI

InChI=1S/C19H30N4O4/c1-4-23(5-2)12-6-11-20-17(19(26)27)13-18(25)22-16-9-7-15(8-10-16)21-14(3)24/h7-10,17,20H,4-6,11-13H2,1-3H3,(H,21,24)(H,22,25)(H,26,27)/p+1/t17-/m0/s1