(2R)-4-[(4-acetamidophenyl)amino]-2-[3-(dimethylazaniumyl)propylazaniumyl]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(4-acetamidophenyl)amino]-2-[3-(dimethylazaniumyl)propylazaniumyl]-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-acetamidoanilino)-2-[3-(dimethylammonio)propylammonio]-4-oxo-butanoate CAS Name: (2R)-4-(4-acetamidoanilino)-2-[3-(dimethylammonio)propylammonio]-4-oxobutanoate IUPAC Name: (2R)-4-(4-acetamidoanilino)-2-[3-(dimethylazaniumyl)propylazaniumyl]-4-oxobutanoate Traditional Name: (2R)-4-(4-acetamidoanilino)-2-[3-(dimethylammonio)propylammonio]-4-keto-butyrate Formula: C17H27N4O4+ MolecularWeight: 351.42068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O4/c1-12(22)19-13-5-7-14(8-6-13)20-16(23)11-15(17(24)25)18-9-4-10-21(2)3/h5-8,15,18H,4,9-11H2,1-3H3,(H,19,22)(H,20,23)(H,24,25)/p+1/t15-/m1/s1