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

Systemtic Name: 3-[[1-[(3-tert-butyl-2-methoxy-phenyl)methyl]-2-oxidanylidene-pyridin-3-yl]carbamoylamino]propanoic acid Openeye Name: 3-[[1-[(3-tert-butyl-2-methoxy-phenyl)methyl]-2-oxo-3-pyridyl]carbamoylamino]propanoic acid CAS Name: 3-[[[[1-[(3-tert-butyl-2-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]amino]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-[(3-tert-butyl-2-methoxyphenyl)methyl]-2-oxopyridin-3-yl]carbamoylamino]propanoic acid Traditional Name: 3-[[1-(3-tert-butyl-2-methoxy-benzyl)-2-keto-3-pyridyl]carbamoylamino]propionic acid Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC(=C1OC)CN2C=CC=C(C2=O)NC(=O)NCCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=CC(=C1OC)CN2C=CC=C(C2=O)NC(=O)NCCC(=O)O

InChI

InChI=1S/C21H27N3O5/c1-21(2,3)15-8-5-7-14(18(15)29-4)13-24-12-6-9-16(19(24)27)23-20(28)22-11-10-17(25)26/h5-9,12H,10-11,13H2,1-4H3,(H,25,26)(H2,22,23,28)