tert-butyl 2-[[5,5-dimethyl-2-oxidanyl-4-oxidanylidene-1-(1H-pyrrol-3-yl)hexyl]-methanoyl-amino]-3-methyl-butanoate

Systemtic Name: tert-butyl 2-[[5,5-dimethyl-2-oxidanyl-4-oxidanylidene-1-(1H-pyrrol-3-yl)hexyl]-methanoyl-amino]-3-methyl-butanoate Openeye Name: tert-butyl 2-[formyl-[2-hydroxy-5,5-dimethyl-4-oxo-1-(1H-pyrrol-3-yl)hexyl]amino]-3-methyl-butanoate CAS Name: 2-[formyl-[2-hydroxy-5,5-dimethyl-4-oxo-1-(1H-pyrrol-3-yl)hexyl]amino]-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[formyl-[2-hydroxy-5,5-dimethyl-4-oxo-1-(1H-pyrrol-3-yl)hexyl]amino]-3-methylbutanoate Traditional Name: 2-[formyl-[2-hydroxy-4-keto-5,5-dimethyl-1-(1H-pyrrol-3-yl)hexyl]amino]-3-methyl-butyric acid tert-butyl ester Formula: C22H36N2O5 MolecularWeight: 408.53164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)(C)C)N(C=O)C(C1=CNC=C1)C(CC(=O)C(C)(C)C)O

Isomeric SMILES

CC(C)C(C(=O)OC(C)(C)C)N(C=O)C(C1=CNC=C1)C(CC(=O)C(C)(C)C)O

InChI

InChI=1S/C22H36N2O5/c1-14(2)18(20(28)29-22(6,7)8)24(13-25)19(15-9-10-23-12-15)16(26)11-17(27)21(3,4)5/h9-10,12-14,16,18-19,23,26H,11H2,1-8H3