(2S)-2-[(5-bromanylthiophen-2-yl)carbonylamino]-3-(1H-imidazol-5-yl)propanoate

Systemtic Name: (2S)-2-[(5-bromanylthiophen-2-yl)carbonylamino]-3-(1H-imidazol-5-yl)propanoate Openeye Name: (2S)-2-[(5-bromothiophene-2-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoate CAS Name: (2S)-2-[[(5-bromo-2-thiophenyl)-oxomethyl]amino]-3-(1H-imidazol-5-yl)propanoate IUPAC Name: (2S)-2-[(5-bromothiophene-2-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoate Traditional Name: (2S)-2-[(5-bromothiophene-2-carbonyl)amino]-3-(1H-imidazol-5-yl)propionate Formula: C11H9BrN3O3S- MolecularWeight: 343.17646

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)Br)C(=O)NC(CC2=CN=CN2)C(=O)[O-]

Isomeric SMILES

C1=C(SC(=C1)Br)C(=O)N[C@@H](CC2=CN=CN2)C(=O)[O-]

InChI

InChI=1S/C11H10BrN3O3S/c12-9-2-1-8(19-9)10(16)15-7(11(17)18)3-6-4-13-5-14-6/h1-2,4-5,7H,3H2,(H,13,14)(H,15,16)(H,17,18)/p-1/t7-/m0/s1