3-[carbamimidoyl(carboxymethyl)carbamoyl]oxy-2-ethanoyl-4-(trimethylazaniumyl)butanoate hydrochloride

Systemtic Name: 3-[carbamimidoyl(carboxymethyl)carbamoyl]oxy-2-ethanoyl-4-(trimethylazaniumyl)butanoate hydrochloride Openeye Name: 2-acetyl-3-[carbamimidoyl(carboxymethyl)carbamoyl]oxy-4-(trimethylammonio)butanoate hydrochloride CAS Name: 2-acetyl-3-[[carbamimidoyl(carboxymethyl)amino]-oxomethoxy]-4-(trimethylammonio)butanoate hydrochloride IUPAC Name: 2-acetyl-3-[carbamimidoyl(carboxymethyl)carbamoyl]oxy-4-(trimethylazaniumyl)butanoate hydrochloride Traditional Name: 2-acetyl-3-[amidino(carboxymethyl)carbamoyl]oxy-4-(trimethylammonio)butyrate hydrochloride Formula: C13H23ClN4O7 MolecularWeight: 382.79732

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(C[N+](C)(C)C)OC(=O)N(CC(=O)O)C(=N)N)C(=O)[O-].Cl

Isomeric SMILES

CC(=O)C(C(C[N+](C)(C)C)OC(=O)N(CC(=O)O)C(=N)N)C(=O)[O-].Cl

InChI

InChI=1S/C13H22N4O7.ClH/c1-7(18)10(11(21)22)8(6-17(2,3)4)24-13(23)16(12(14)15)5-9(19)20;/h8,10H,5-6H2,1-4H3,(H4-,14,15,19,20,21,22);1H