2-[2-[[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-methyl-butanoyl]amino]propanoylamino]pentanedioic acid

Systemtic Name: 2-[2-[[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-methyl-butanoyl]amino]propanoylamino]pentanedioic acid Openeye Name: 2-[2-[[2-[(2-amino-4-hydroxy-4-oxo-butanoyl)amino]-3-methyl-butanoyl]amino]propanoylamino]pentanedioic acid CAS Name: 2-[[2-[[2-[(2-amino-4-hydroxy-1,4-dioxobutyl)amino]-3-methyl-1-oxobutyl]amino]-1-oxopropyl]amino]pentanedioic acid IUPAC Name: 2-[2-[[2-[(2-amino-4-hydroxy-4-oxobutanoyl)amino]-3-methylbutanoyl]amino]propanoylamino]pentanedioic acid Traditional Name: 2-[2-[[2-[(2-amino-4-hydroxy-4-keto-butanoyl)amino]-3-methyl-butanoyl]amino]propanoylamino]glutaric acid Formula: C17H28N4O9 MolecularWeight: 432.42562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CC(=O)O)N

Isomeric SMILES

CC(C)C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CC(=O)O)N

InChI

InChI=1S/C17H28N4O9/c1-7(2)13(21-15(27)9(18)6-12(24)25)16(28)19-8(3)14(26)20-10(17(29)30)4-5-11(22)23/h7-10,13H,4-6,18H2,1-3H3,(H,19,28)(H,20,26)(H,21,27)(H,22,23)(H,24,25)(H,29,30)