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

Systemtic Name: 2-[2-[[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-methyl-butanoyl]amino]propanoylamino]butanedioic acid Openeye Name: 2-[2-[[2-[(2-amino-4-hydroxy-4-oxo-butanoyl)amino]-3-methyl-butanoyl]amino]propanoylamino]butanedioic acid CAS Name: 2-[[2-[[2-[(2-amino-4-hydroxy-1,4-dioxobutyl)amino]-3-methyl-1-oxobutyl]amino]-1-oxopropyl]amino]butanedioic acid IUPAC Name: 2-[2-[[2-[(2-amino-4-hydroxy-4-oxobutanoyl)amino]-3-methylbutanoyl]amino]propanoylamino]butanedioic acid Traditional Name: 2-[2-[[2-[(2-amino-4-hydroxy-4-keto-butanoyl)amino]-3-methyl-butanoyl]amino]propanoylamino]succinic acid Formula: C16H26N4O9 MolecularWeight: 418.39904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N4O9/c1-6(2)12(20-14(26)8(17)4-10(21)22)15(27)18-7(3)13(25)19-9(16(28)29)5-11(23)24/h6-9,12H,4-5,17H2,1-3H3,(H,18,27)(H,19,25)(H,20,26)(H,21,22)(H,23,24)(H,28,29)