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

Systemtic Name: 4-bromanylbutyl 3-(1H-imidazol-5-yl)-2-[3-(pyridin-3-ylcarbonylamino)propanoylamino]propanoate Openeye Name: 4-bromobutyl 3-(1H-imidazol-5-yl)-2-[3-(pyridine-3-carbonylamino)propanoylamino]propanoate CAS Name: 3-(1H-imidazol-5-yl)-2-[[1-oxo-3-[[oxo(3-pyridinyl)methyl]amino]propyl]amino]propanoic acid 4-bromobutyl ester IUPAC Name: 4-bromobutyl 3-(1H-imidazol-5-yl)-2-[3-(pyridine-3-carbonylamino)propanoylamino]propanoate Traditional Name: 3-(1H-imidazol-5-yl)-2-(3-nicotinamidopropanoylamino)propionic acid 4-bromobutyl ester Formula: C19H24BrN5O4 MolecularWeight: 466.32896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)NCCC(=O)NC(CC2=CN=CN2)C(=O)OCCCCBr

Isomeric SMILES

C1=CC(=CN=C1)C(=O)NCCC(=O)NC(CC2=CN=CN2)C(=O)OCCCCBr

InChI

InChI=1S/C19H24BrN5O4/c20-6-1-2-9-29-19(28)16(10-15-12-22-13-24-15)25-17(26)5-8-23-18(27)14-4-3-7-21-11-14/h3-4,7,11-13,16H,1-2,5-6,8-10H2,(H,22,24)(H,23,27)(H,25,26)