(4S,6S)-6-[(4-bromanyl-1H-pyrrol-2-yl)carbonyloxymethyl]-1,6-dimethyl-1,3-diazinane-4-carboxylic acid

Systemtic Name: (4S,6S)-6-[(4-bromanyl-1H-pyrrol-2-yl)carbonyloxymethyl]-1,6-dimethyl-1,3-diazinane-4-carboxylic acid Openeye Name: (4S,6S)-6-[(4-bromo-1H-pyrrole-2-carbonyl)oxymethyl]-1,6-dimethyl-hexahydropyrimidine-4-carboxylic acid CAS Name: (4S,6S)-6-[[(4-bromo-1H-pyrrol-2-yl)-oxomethoxy]methyl]-1,6-dimethyl-1,3-diazinane-4-carboxylic acid IUPAC Name: (4S,6S)-6-[(4-bromo-1H-pyrrole-2-carbonyl)oxymethyl]-1,6-dimethyl-1,3-diazinane-4-carboxylic acid Traditional Name: (4S,6S)-6-[(4-bromo-1H-pyrrole-2-carbonyl)oxymethyl]-1,6-dimethyl-hexahydropyrimidine-4-carboxylic acid Formula: C13H18BrN3O4 MolecularWeight: 360.20372

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(NCN1C)C(=O)O)COC(=O)C2=CC(=CN2)Br

Isomeric SMILES

C[C@]1(C[C@H](NCN1C)C(=O)O)COC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C13H18BrN3O4/c1-13(4-10(11(18)19)16-7-17(13)2)6-21-12(20)9-3-8(14)5-15-9/h3,5,10,15-16H,4,6-7H2,1-2H3,(H,18,19)/t10-,13-/m0/s1