[2-oxidanylidene-2-[[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]amino]ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]amino]ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]amino]-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-keto-2-[[(1S)-2-keto-1-methyl-2-(propylamino)ethyl]amino]ethyl] ester Formula: C14H18BrN3O4 MolecularWeight: 372.21442

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)COC(=O)C1=CC(=CN=C1)Br

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)COC(=O)C1=CC(=CN=C1)Br

InChI

InChI=1S/C14H18BrN3O4/c1-3-4-17-13(20)9(2)18-12(19)8-22-14(21)10-5-11(15)7-16-6-10/h5-7,9H,3-4,8H2,1-2H3,(H,17,20)(H,18,19)/t9-/m0/s1