[2-[carbamimidoyl(carboxymethyl)carbamoyl]oxy-3-carboxy-6-methyl-4-oxidanylidene-heptyl]-trimethyl-azanium

Systemtic Name: [2-[carbamimidoyl(carboxymethyl)carbamoyl]oxy-3-carboxy-6-methyl-4-oxidanylidene-heptyl]-trimethyl-azanium Openeye Name: [2-[carbamimidoyl(carboxymethyl)carbamoyl]oxy-3-carboxy-6-methyl-4-oxo-heptyl]-trimethyl-ammonium CAS Name: [2-[[carbamimidoyl(carboxymethyl)amino]-oxomethoxy]-3-carboxy-6-methyl-4-oxoheptyl]-trimethylammonium IUPAC Name: [2-[carbamimidoyl(carboxymethyl)carbamoyl]oxy-3-carboxy-6-methyl-4-oxoheptyl]-trimethylazanium Traditional Name: [2-[amidino(carboxymethyl)carbamoyl]oxy-3-carboxy-4-keto-6-methyl-heptyl]-trimethyl-ammonium Formula: C16H29N4O7+ MolecularWeight: 389.42406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N4O7/c1-9(2)6-10(21)13(14(24)25)11(8-20(3,4)5)27-16(26)19(15(17)18)7-12(22)23/h9,11,13H,6-8H2,1-5H3,(H4-,17,18,22,23,24,25)/p+1