Concept information
Preferred term
(3S,6S,9S,12S) 3,9 bis(3 aminopropyl) 6 [(4 hydroxyphenyl)methyl] 12 methyl 1,4,7,10 tetrazacyclododecane 2,5,8,11 tetrone
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C22H34N6O5
inchi
- InChI=1S/C22H34N6O5/c1-13-19(30)26-17(5-3-11-24)21(32)28-18(12-14-6-8-15(29)9-7-14)22(33)27-16(4-2-10-23)20(31)25-13/h6-9,13,16-18,29H,2-5,10-12,23-24H2,1H3,(H,25,31)(H,26,30)(H,27,33)(H,28,32)/t13-,16-,17-,18-/m0/s1
inchikey
- KBVNEBGZKSSKBI-MGHWNKPDSA-N
mass
- 462.551
monoisotopicmass
- 462.25907
smiles
- O=C1N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H]1CC2=CC=C(O)C=C2)=O)CCCN)C)CCCN
subset
- 2_STAR
synonym EXACT
- (3S,6S,9S,12S)-3,9-bis(3-aminopropyl)-6-[(4-hydroxyphenyl)methyl]-12-methyl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:226630
{{label}}
{{#each values }} {{! loop through ConceptPropertyValue objects }}
{{#if prefLabel }}
{{/if}}
{{/each}}
{{#if notation }}{{ notation }} {{/if}}{{ prefLabel }}
{{#ifDifferentLabelLang lang }} ({{ lang }}){{/ifDifferentLabelLang}}
{{#if vocabName }}
{{ vocabName }}
{{/if}}