Concept information
Preferred term
2-[3-[(3s,4r,6s,7s,8r,8ar)-6-[2-(2-hydroxyethoxy)phenyl]-1'-[2-methoxyethoxy(oxo)methyl]-1,2'-dioxo-8-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3,4-diphenyl-5'-spiro[4,6,8,8a-tetrahydro-3h-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]yl]prop-2-ynyl]propanedioic acid dimethyl ester
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C55H54N6O13
inchi
- InChI=1S/C55H54N6O13/c1-69-32-33-73-54(68)60-41-23-22-35(14-12-20-39(49(64)70-2)50(65)71-3)34-40(41)55(52(60)67)43(48(63)58-26-28-59(29-27-58)53-56-24-13-25-57-53)45-51(66)74-46(37-17-8-5-9-18-37)44(36-15-6-4-7-16-36)61(45)47(55)38-19-10-11-21-42(38)72-31-30-62/h4-11,13,15-19,21-25,34,39,43-47,62H,20,26-33H2,1-3H3/t43-,44-,45-,46+,47+,55-/m1/s1
inchikey
- NMHFAXRTWCWMAY-DFSPRCJXSA-N
mass
- 1007.052
monoisotopicmass
- 1006.37489
smiles
- COCCOC(=O)N1C2=C(C=C(C=C2)C#CCC(C(=O)OC)C(=O)OC)[C@@]3(C1=O)[C@H]([C@@H]4C(=O)O[C@H]([C@H](N4[C@H]3C5=CC=CC=C5OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N8CCN(CC8)C9=NC=CC=N9
subset
- 2_STAR
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:94066
{{label}}
{{#each values }} {{! loop through ConceptPropertyValue objects }}
{{#if prefLabel }}
{{/if}}
{{/each}}
{{#if notation }}{{ notation }} {{/if}}{{ prefLabel }}
{{#ifDifferentLabelLang lang }} ({{ lang }}){{/ifDifferentLabelLang}}
{{#if vocabName }}
{{ vocabName }}
{{/if}}