(2R)-2-[(4-chloranyl-1-methyl-pyrrol-2-yl)carbonylamino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: (2R)-2-[(4-chloranyl-1-methyl-pyrrol-2-yl)carbonylamino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: (2R)-2-[(4-chloro-1-methyl-pyrrole-2-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: (2R)-2-[[(4-chloro-1-methyl-2-pyrrolyl)-oxomethyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: (2R)-2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: (2R)-2-[(4-chloro-1-methyl-pyrrole-2-carbonyl)amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C12H13ClN4O3 MolecularWeight: 296.70962

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC(CC2=CN=CN2)C(=O)O)Cl

Isomeric SMILES

CN1C=C(C=C1C(=O)N[C@H](CC2=CN=CN2)C(=O)O)Cl

InChI

InChI=1S/C12H13ClN4O3/c1-17-5-7(13)2-10(17)11(18)16-9(12(19)20)3-8-4-14-6-15-8/h2,4-6,9H,3H2,1H3,(H,14,15)(H,16,18)(H,19,20)/t9-/m1/s1