Concept information
Preferred term
سیانوپپتولین 959
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C43H61N9O14S
inchi
- InChI=1S/C43H61N9O14S/c1-5-24(2)34-42(61)66-25(3)35(50-38(57)32(53)23-65-67(62,63)64)39(58)47-28(17-12-20-46-43(44)45)36(55)48-29-18-19-33(54)52(40(29)59)31(22-27-15-10-7-11-16-27)41(60)51(4)30(37(56)49-34)21-26-13-8-6-9-14-26/h6-11,13-16,24-25,28-35,53-54H,5,12,17-23H2,1-4H3,(H,47,58)(H,48,55)(H,49,56)(H,50,57)(H4,44,45,46)(H,62,63,64)
inchikey
- JAQFKPSIKFQVIW-UHFFFAOYSA-N
mass
- 960.070
monoisotopicmass
- 959.40587
smiles
- S(=O)(=O)(OCC(O)C(=O)NC1C(=O)NC(C(=O)NC2C(=O)N(C(CC3=CC=CC=C3)C(N(C(C(NC(C(OC1C)=O)C(CC)C)=O)CC4=CC=CC=C4)C)=O)C(O)CC2)CCCN=C(N)N)O
subset
- 2_STAR
synonym EXACT
- [3-[[2,5-dibenzyl-8-butan-2-yl-15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-2-hydroxy-3-oxopropyl] hydrogen sulate
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:214785
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