4-nitrooxybutyl (2S)-3-(1H-imidazol-5-yl)-2-[3-(pyridin-3-ylcarbonylamino)propanoylamino]propanoate

Systemtic Name: 4-nitrooxybutyl (2S)-3-(1H-imidazol-5-yl)-2-[3-(pyridin-3-ylcarbonylamino)propanoylamino]propanoate Openeye Name: 4-nitrooxybutyl (2S)-3-(1H-imidazol-5-yl)-2-[3-(pyridine-3-carbonylamino)propanoylamino]propanoate CAS Name: (2S)-3-(1H-imidazol-5-yl)-2-[[1-oxo-3-[[oxo(3-pyridinyl)methyl]amino]propyl]amino]propanoic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl (2S)-3-(1H-imidazol-5-yl)-2-[3-(pyridine-3-carbonylamino)propanoylamino]propanoate Traditional Name: (2S)-3-(1H-imidazol-5-yl)-2-(3-nicotinamidopropanoylamino)propionic acid 4-nitrooxybutyl ester Formula: C19H24N6O7 MolecularWeight: 448.42986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)NCCC(=O)NC(CC2=CN=CN2)C(=O)OCCCCO[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)C(=O)NCCC(=O)N[C@@H](CC2=CN=CN2)C(=O)OCCCCO[N+](=O)[O-]

InChI

InChI=1S/C19H24N6O7/c26-17(5-7-22-18(27)14-4-3-6-20-11-14)24-16(10-15-12-21-13-23-15)19(28)31-8-1-2-9-32-25(29)30/h3-4,6,11-13,16H,1-2,5,7-10H2,(H,21,23)(H,22,27)(H,24,26)/t16-/m0/s1