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

Systemtic Name: 3-[[1-[(3-tert-butyl-2-oxidanyl-phenyl)methyl]-2-oxidanylidene-pyridin-3-yl]carbamoylamino]propanoic acid Openeye Name: 3-[[1-[(3-tert-butyl-2-hydroxy-phenyl)methyl]-2-oxo-3-pyridyl]carbamoylamino]propanoic acid CAS Name: 3-[[[[1-[(3-tert-butyl-2-hydroxyphenyl)methyl]-2-oxo-3-pyridinyl]amino]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-[(3-tert-butyl-2-hydroxyphenyl)methyl]-2-oxopyridin-3-yl]carbamoylamino]propanoic acid Traditional Name: 3-[[1-(3-tert-butyl-2-hydroxy-benzyl)-2-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=CC(=C1O)CN2C=CC=C(C2=O)NC(=O)NCCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=CC(=C1O)CN2C=CC=C(C2=O)NC(=O)NCCC(=O)O

InChI

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