4-oxidanylidene-4-[[2,4,6-trimethyl-3-[(3-oxidanyl-3-oxidanylidene-propanoyl)amino]phenyl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[[2,4,6-trimethyl-3-[(3-oxidanyl-3-oxidanylidene-propanoyl)amino]phenyl]amino]butanoic acid Openeye Name: 4-[3-[(3-hydroxy-3-oxo-propanoyl)amino]-2,4,6-trimethyl-anilino]-4-oxo-butanoic acid CAS Name: 4-[3-[(3-hydroxy-1,3-dioxopropyl)amino]-2,4,6-trimethylanilino]-4-oxobutanoic acid IUPAC Name: 4-[3-[(3-hydroxy-3-oxopropanoyl)amino]-2,4,6-trimethylanilino]-4-oxobutanoic acid Traditional Name: 4-[3-[(3-hydroxy-3-keto-propanoyl)amino]-2,4,6-trimethyl-anilino]-4-keto-butyric acid Formula: C16H20N2O6 MolecularWeight: 336.3398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1NC(=O)CC(=O)O)C)NC(=O)CCC(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1NC(=O)CC(=O)O)C)NC(=O)CCC(=O)O)C

InChI

InChI=1S/C16H20N2O6/c1-8-6-9(2)16(18-12(20)7-14(23)24)10(3)15(8)17-11(19)4-5-13(21)22/h6H,4-5,7H2,1-3H3,(H,17,19)(H,18,20)(H,21,22)(H,23,24)