4-[2-[[3-methylbutyl(oxidanyl)phosphoryl]methyl]-4-oxidanyl-4-oxidanylidene-butanoyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[2-[[3-methylbutyl(oxidanyl)phosphoryl]methyl]-4-oxidanyl-4-oxidanylidene-butanoyl]piperazine-1-carboxylic acid Openeye Name: 4-[4-hydroxy-2-[[hydroxy(isopentyl)phosphoryl]methyl]-4-oxo-butanoyl]piperazine-1-carboxylic acid CAS Name: 4-[4-hydroxy-2-[[hydroxy(3-methylbutyl)phosphoryl]methyl]-1,4-dioxobutyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[4-hydroxy-2-[[hydroxy(3-methylbutyl)phosphoryl]methyl]-4-oxobutanoyl]piperazine-1-carboxylic acid Traditional Name: 4-[4-hydroxy-2-[[hydroxy(isoamyl)phosphoryl]methyl]-4-keto-butanoyl]piperazine-1-carboxylic acid Formula: C15H27N2O7P MolecularWeight: 378.357841

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCP(=O)(CC(CC(=O)O)C(=O)N1CCN(CC1)C(=O)O)O

Isomeric SMILES

CC(C)CCP(=O)(CC(CC(=O)O)C(=O)N1CCN(CC1)C(=O)O)O

InChI

InChI=1S/C15H27N2O7P/c1-11(2)3-8-25(23,24)10-12(9-13(18)19)14(20)16-4-6-17(7-5-16)15(21)22/h11-12H,3-10H2,1-2H3,(H,18,19)(H,21,22)(H,23,24)