6-(4-azanyl-3-oxidanyl-butyl)-1-[[3,4-bis(oxidanyl)phenyl]methyl]-3-tert-butyl-piperazine-2,5-dione

Systemtic Name: 6-(4-azanyl-3-oxidanyl-butyl)-1-[[3,4-bis(oxidanyl)phenyl]methyl]-3-tert-butyl-piperazine-2,5-dione Openeye Name: 6-(4-amino-3-hydroxy-butyl)-3-tert-butyl-1-[(3,4-dihydroxyphenyl)methyl]piperazine-2,5-dione CAS Name: 6-(4-amino-3-hydroxybutyl)-3-tert-butyl-1-[(3,4-dihydroxyphenyl)methyl]piperazine-2,5-dione IUPAC Name: 6-(4-amino-3-hydroxybutyl)-3-tert-butyl-1-[(3,4-dihydroxyphenyl)methyl]piperazine-2,5-dione Traditional Name: 6-(4-amino-3-hydroxy-butyl)-3-tert-butyl-1-protocatechuyl-piperazine-2,5-quinone Formula: C19H29N3O5 MolecularWeight: 379.45066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1C(=O)N(C(C(=O)N1)CCC(CN)O)CC2=CC(=C(C=C2)O)O

Isomeric SMILES

CC(C)(C)C1C(=O)N(C(C(=O)N1)CCC(CN)O)CC2=CC(=C(C=C2)O)O

InChI

InChI=1S/C19H29N3O5/c1-19(2,3)16-18(27)22(10-11-4-7-14(24)15(25)8-11)13(17(26)21-16)6-5-12(23)9-20/h4,7-8,12-13,16,23-25H,5-6,9-10,20H2,1-3H3,(H,21,26)