methyl 1-(2-azanyl-3-methyl-butanoyl)-1-[2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]heptanoyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl 1-(2-azanyl-3-methyl-butanoyl)-1-[2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]heptanoyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl 1-(2-amino-3-methyl-butanoyl)-1-[2-[2-(hydroxyamino)-2-oxo-ethyl]heptanoyl]pyrrolidin-1-ium-2-carboxylate CAS Name: 1-(2-amino-3-methyl-1-oxobutyl)-1-[2-[2-(hydroxyamino)-2-oxoethyl]-1-oxoheptyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-(2-amino-3-methylbutanoyl)-1-[2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: 1-(2-amino-3-methyl-butanoyl)-1-[2-[2-(hydroxyamino)-2-keto-ethyl]heptanoyl]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C20H36N3O6+ MolecularWeight: 414.51634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)NO)C(=O)[N+]1(CCCC1C(=O)OC)C(=O)C(C(C)C)N

Isomeric SMILES

CCCCCC(CC(=O)NO)C(=O)[N+]1(CCCC1C(=O)OC)C(=O)C(C(C)C)N

InChI

InChI=1S/C20H35N3O6/c1-5-6-7-9-14(12-16(24)22-28)18(25)23(19(26)17(21)13(2)3)11-8-10-15(23)20(27)29-4/h13-15,17H,5-12,21H2,1-4H3,(H-,22,24,28)/p+1