(2S)-2-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-3-(4-methylimidazolidin-4-yl)propanoic acid

Systemtic Name: (2S)-2-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-3-(4-methylimidazolidin-4-yl)propanoic acid Openeye Name: (2S)-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-(4-methylimidazolidin-4-yl)propanoic acid CAS Name: (2S)-2-[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]amino]-3-(4-methyl-4-imidazolidinyl)propanoic acid IUPAC Name: (2S)-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-(4-methylimidazolidin-4-yl)propanoic acid Traditional Name: (2S)-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-(4-methylimidazolidin-4-yl)propionic acid Formula: C12H17BrN4O3 MolecularWeight: 345.19238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CNCN1)CC(C(=O)O)NC(=O)C2=CC(=CN2)Br

Isomeric SMILES

CC1(CNCN1)C[C@@H](C(=O)O)NC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C12H17BrN4O3/c1-12(5-14-6-16-12)3-9(11(19)20)17-10(18)8-2-7(13)4-15-8/h2,4,9,14-16H,3,5-6H2,1H3,(H,17,18)(H,19,20)/t9-,12?/m0/s1