3-[[1-[(4-tert-butylphenyl)methyl]-2-oxidanyl-4-oxidanylidene-pyridin-3-yl]carbamoylamino]propanoic acid

Systemtic Name: 3-[[1-[(4-tert-butylphenyl)methyl]-2-oxidanyl-4-oxidanylidene-pyridin-3-yl]carbamoylamino]propanoic acid Openeye Name: 3-[[1-[(4-tert-butylphenyl)methyl]-2-hydroxy-4-oxo-3-pyridyl]carbamoylamino]propanoic acid CAS Name: 3-[[[[1-[(4-tert-butylphenyl)methyl]-2-hydroxy-4-oxo-3-pyridinyl]amino]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-[(4-tert-butylphenyl)methyl]-2-hydroxy-4-oxopyridin-3-yl]carbamoylamino]propanoic acid Traditional Name: 3-[[1-(4-tert-butylbenzyl)-2-hydroxy-4-keto-3-pyridyl]carbamoylamino]propionic acid Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C=CC(=O)C(=C2O)NC(=O)NCCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C=CC(=O)C(=C2O)NC(=O)NCCC(=O)O

InChI

InChI=1S/C20H25N3O5/c1-20(2,3)14-6-4-13(5-7-14)12-23-11-9-15(24)17(18(23)27)22-19(28)21-10-8-16(25)26/h4-7,9,11,27H,8,10,12H2,1-3H3,(H,25,26)(H2,21,22,28)