(2S)-2-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: (2S)-2-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: (2S)-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: (2S)-2-[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: (2S)-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: (2S)-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C11H11BrN4O3 MolecularWeight: 327.13404

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=C1Br)C(=O)NC(CC2=CN=CN2)C(=O)O

Isomeric SMILES

C1=C(NC=C1Br)C(=O)N[C@@H](CC2=CN=CN2)C(=O)O

InChI

InChI=1S/C11H11BrN4O3/c12-6-1-8(14-3-6)10(17)16-9(11(18)19)2-7-4-13-5-15-7/h1,3-5,9,14H,2H2,(H,13,15)(H,16,17)(H,18,19)/t9-/m0/s1