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

Systemtic Name: 6-(4-azanyl-3-oxidanyl-butyl)-1-[[3,4-bis(oxidanyl)phenyl]methyl]-3-propan-2-yl-piperazine-2,5-dione Openeye Name: 6-(4-amino-3-hydroxy-butyl)-1-[(3,4-dihydroxyphenyl)methyl]-3-isopropyl-piperazine-2,5-dione CAS Name: 6-(4-amino-3-hydroxybutyl)-1-[(3,4-dihydroxyphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione IUPAC Name: 6-(4-amino-3-hydroxybutyl)-1-[(3,4-dihydroxyphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione Traditional Name: 6-(4-amino-3-hydroxy-butyl)-3-isopropyl-1-protocatechuyl-piperazine-2,5-quinone Formula: C18H27N3O5 MolecularWeight: 365.42408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O5/c1-10(2)16-18(26)21(9-11-3-6-14(23)15(24)7-11)13(17(25)20-16)5-4-12(22)8-19/h3,6-7,10,12-13,16,22-24H,4-5,8-9,19H2,1-2H3,(H,20,25)