tert-butyl 2-azanyl-4-oxidanyl-5-oxidanylidene-4-[3-(1H-pyrrol-2-ylcarbonylamino)propyl]imidazole-1-carboxylate

Systemtic Name: tert-butyl 2-azanyl-4-oxidanyl-5-oxidanylidene-4-[3-(1H-pyrrol-2-ylcarbonylamino)propyl]imidazole-1-carboxylate Openeye Name: tert-butyl 2-amino-4-hydroxy-5-oxo-4-[3-(1H-pyrrole-2-carbonylamino)propyl]imidazole-1-carboxylate CAS Name: 2-amino-4-hydroxy-5-oxo-4-[3-[[oxo(1H-pyrrol-2-yl)methyl]amino]propyl]-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-4-hydroxy-5-oxo-4-[3-(1H-pyrrole-2-carbonylamino)propyl]imidazole-1-carboxylate Traditional Name: 2-amino-4-hydroxy-5-keto-4-[3-(1H-pyrrole-2-carbonylamino)propyl]-2-imidazoline-1-carboxylic acid tert-butyl ester Formula: C16H23N5O5 MolecularWeight: 365.38432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=O)C(N=C1N)(CCCNC(=O)C2=CC=CN2)O

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=O)C(N=C1N)(CCCNC(=O)C2=CC=CN2)O

InChI

InChI=1S/C16H23N5O5/c1-15(2,3)26-14(24)21-12(23)16(25,20-13(21)17)7-5-9-19-11(22)10-6-4-8-18-10/h4,6,8,18,25H,5,7,9H2,1-3H3,(H2,17,20)(H,19,22)