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CHEBI:39568 - 1-(4-tert-butylcarbamoylpiperazin-1-ylcarbonyl)-3-(3-guanidinopropyl)-4-oxoazetidine-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:39568
ChEBI Name1-(4-tert-butylcarbamoylpiperazin-1-ylcarbonyl)-3-(3-guanidinopropyl)-4-oxoazetidine-2-carboxylic acid
Stars
ASCII Name1-(4-tert-butylcarbamoylpiperazin-1-ylcarbonyl)-3-(3-guanidinopropyl)-4-oxoazetidine-2-carboxylic acid
DefinitionAn azetidinecarboxylic acid that consists of 4-oxoazetidine-2-carboxylic acid bearing tert-butylcarbamoyl)piperazin-1-ylcarbonyl and 3-guanidinopropyl groups at positions 1 and 3 respectively.
Last Modified5 December 2011
DownloadsMolfile
FormulaC18H31N7O5
Net Charge0
Average Mass425.490
Monoisotopic Mass425.23867
SMILESCC(C)(C)NC(=O)N1CCN(C(=O)N2C(=O)C(CCCNC(=N)N)C2C(=O)O)CC1
InChIInChI=1S/C18H31N7O5/c1-18(2,3)22-16(29)23-7-9-24(10-8-23)17(30)25-12(14(27)28)11(13(25)26)5-4-6-21-15(19)20/h11-12H,4-10H2,1-3H3,(H,22,29)(H,27,28)(H4,19,20,21)
InChIKeyMFTQITSPGQORDA-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
1-(4-tert-butylcarbamoylpiperazin-1-ylcarbonyl)-3-(3-guanidinopropyl)-4-oxoazetidine-2-carboxylic acid (CHEBI:39568) is a N-carbamoylpiperazine (CHEBI:46919)
1-(4-tert-butylcarbamoylpiperazin-1-ylcarbonyl)-3-(3-guanidinopropyl)-4-oxoazetidine-2-carboxylic acid (CHEBI:39568) is a azetidinecarboxylic acid (CHEBI:46891)
1-(4-tert-butylcarbamoylpiperazin-1-ylcarbonyl)-3-(3-guanidinopropyl)-4-oxoazetidine-2-carboxylic acid (CHEBI:39568) is a guanidines (CHEBI:24436)
1-(4-tert-butylcarbamoylpiperazin-1-ylcarbonyl)-3-(3-guanidinopropyl)-4-oxoazetidine-2-carboxylic acid (CHEBI:39568) is a β-lactam (CHEBI:35627)
IUPAC Name 
1-{[4-(tert-butylcarbamoyl)piperazin-1-yl]carbonyl}-3-(3-carbamimidamidopropyl)-4-oxoazetidine-2-carboxylic acid