ethyl 3-[2-(oxidanylideneboranylmethylamino)ethanoylamino]-3-pyridin-3-yl-propanoate

Systemtic Name: ethyl 3-[2-(oxidanylideneboranylmethylamino)ethanoylamino]-3-pyridin-3-yl-propanoate Openeye Name: ethyl 3-[[2-(oxoboranylmethylamino)acetyl]amino]-3-(3-pyridyl)propanoate CAS Name: 3-[[1-oxo-2-(oxoboranylmethylamino)ethyl]amino]-3-(3-pyridinyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(oxoboranylmethylamino)acetyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: 3-[[2-(ketoboranylmethylamino)acetyl]amino]-3-(3-pyridyl)propionic acid ethyl ester Formula: C13H18BN3O4 MolecularWeight: 291.11072

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Descriptors Computed from Structure

Canonical SMILES:

B(=O)CNCC(=O)NC(CC(=O)OCC)C1=CN=CC=C1

Isomeric SMILES

B(=O)CNCC(=O)NC(CC(=O)OCC)C1=CN=CC=C1

InChI

InChI=1S/C13H18BN3O4/c1-2-21-13(19)6-11(10-4-3-5-15-7-10)17-12(18)8-16-9-14-20/h3-5,7,11,16H,2,6,8-9H2,1H3,(H,17,18)