4-azanyl-2-[[2-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[[2-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[2-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[[2-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[2-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[2-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]amino]-4-keto-butyric acid Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=CC=C1C(=O)NC(CC(=O)N)C(=O)O)O

Isomeric SMILES

CC(C)(C#CC1=CC=CC=C1C(=O)NC(CC(=O)N)C(=O)O)O

InChI

InChI=1S/C16H18N2O5/c1-16(2,23)8-7-10-5-3-4-6-11(10)14(20)18-12(15(21)22)9-13(17)19/h3-6,12,23H,9H2,1-2H3,(H2,17,19)(H,18,20)(H,21,22)