[[(2S)-5-azanyl-1-oxidanylidene-1-pyridin-3-yloxy-pentan-2-yl]amino] pyridine-3-carboxylate

Systemtic Name: [[(2S)-5-azanyl-1-oxidanylidene-1-pyridin-3-yloxy-pentan-2-yl]amino] pyridine-3-carboxylate Openeye Name: [[(1S)-4-amino-1-(3-pyridyloxycarbonyl)butyl]amino] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [[(2S)-5-amino-1-oxo-1-(3-pyridinyloxy)pentan-2-yl]amino] ester IUPAC Name: [[(2S)-5-amino-1-oxo-1-pyridin-3-yloxypentan-2-yl]amino] pyridine-3-carboxylate Traditional Name: nicotinic acid [[(1S)-4-amino-1-(3-pyridyloxycarbonyl)butyl]amino] ester Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)ONC(CCCN)C(=O)OC2=CN=CC=C2

Isomeric SMILES

C1=CC(=CN=C1)C(=O)ON[C@@H](CCCN)C(=O)OC2=CN=CC=C2

InChI

InChI=1S/C16H18N4O4/c17-7-1-6-14(16(22)23-13-5-3-9-19-11-13)20-24-15(21)12-4-2-8-18-10-12/h2-5,8-11,14,20H,1,6-7,17H2/t14-/m0/s1