[[(2S)-6-azanyl-1-oxidanylidene-1-pyridin-3-yloxy-hexan-2-yl]amino] pyridine-3-carboxylate

Systemtic Name: [[(2S)-6-azanyl-1-oxidanylidene-1-pyridin-3-yloxy-hexan-2-yl]amino] pyridine-3-carboxylate Openeye Name: [[(1S)-5-amino-1-(3-pyridyloxycarbonyl)pentyl]amino] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [[(2S)-6-amino-1-oxo-1-(3-pyridinyloxy)hexan-2-yl]amino] ester IUPAC Name: [[(2S)-6-amino-1-oxo-1-pyridin-3-yloxyhexan-2-yl]amino] pyridine-3-carboxylate Traditional Name: nicotinic acid [[(1S)-5-amino-1-(3-pyridyloxycarbonyl)pentyl]amino] ester Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O4/c18-8-2-1-7-15(17(23)24-14-6-4-10-20-12-14)21-25-16(22)13-5-3-9-19-11-13/h3-6,9-12,15,21H,1-2,7-8,18H2/t15-/m0/s1