[2-[carbamimidoyl(carboxymethyl)carbamoyl]oxy-3-carboxy-4-oxidanylidene-pentyl]-trimethyl-azanium

Systemtic Name: [2-[carbamimidoyl(carboxymethyl)carbamoyl]oxy-3-carboxy-4-oxidanylidene-pentyl]-trimethyl-azanium Openeye Name: [2-[carbamimidoyl(carboxymethyl)carbamoyl]oxy-3-carboxy-4-oxo-pentyl]-trimethyl-ammonium CAS Name: [2-[[carbamimidoyl(carboxymethyl)amino]-oxomethoxy]-3-carboxy-4-oxopentyl]-trimethylammonium IUPAC Name: [2-[carbamimidoyl(carboxymethyl)carbamoyl]oxy-3-carboxy-4-oxopentyl]-trimethylazanium Traditional Name: [2-[amidino(carboxymethyl)carbamoyl]oxy-3-carboxy-4-keto-pentyl]-trimethyl-ammonium Formula: C13H23N4O7+ MolecularWeight: 347.34432

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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

Isomeric SMILES

CC(=O)C(C(C[N+](C)(C)C)OC(=O)N(CC(=O)O)C(=N)N)C(=O)O

InChI

InChI=1S/C13H22N4O7/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)/p+1