3-[[4-[(4-acetamido-1-methyl-imidazol-2-yl)carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[(4-acetamido-1-methyl-imidazol-2-yl)carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(4-acetamido-1-methyl-imidazole-2-carbonyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]propanoic acid CAS Name: 3-[[[4-[[(4-acetamido-1-methyl-2-imidazolyl)-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[(4-acetamido-1-methylimidazole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]propanoic acid Traditional Name: 3-[[4-[(4-acetamido-1-methyl-imidazole-2-carbonyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]propionic acid Formula: C16H20N6O5 MolecularWeight: 376.3672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CN(C(=N1)C(=O)NC2=CN(C(=C2)C(=O)NCCC(=O)O)C)C

Isomeric SMILES

CC(=O)NC1=CN(C(=N1)C(=O)NC2=CN(C(=C2)C(=O)NCCC(=O)O)C)C

InChI

InChI=1S/C16H20N6O5/c1-9(23)18-12-8-22(3)14(20-12)16(27)19-10-6-11(21(2)7-10)15(26)17-5-4-13(24)25/h6-8H,4-5H2,1-3H3,(H,17,26)(H,18,23)(H,19,27)(H,24,25)