Concept information
Preferred term
سیانوپپتولین 911
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C39H61N9O14S
inchi
- InChI=1S/C39H61N9O14S/c1-20(2)17-27-37(56)47(6)26(18-23-11-8-7-9-12-23)33(52)45-30(21(3)4)38(57)62-22(5)31(46-34(53)28(49)19-61-63(58,59)60)35(54)43-24(13-10-16-42-39(40)41)32(51)44-25-14-15-29(50)48(27)36(25)55/h7-9,11-12,20-22,24-31,49-50H,10,13-19H2,1-6H3,(H,43,54)(H,44,51)(H,45,52)(H,46,53)(H4,40,41,42)(H,58,59,60)
inchikey
- VEXSXZZUUJNXII-UHFFFAOYSA-N
mass
- 912.030
monoisotopicmass
- 911.40587
smiles
- S(=O)(=O)(OCC(O)C(=O)NC1C(=O)NC(C(=O)NC2C(=O)N(C(CC(C)C)C(N(C(C(NC(C(OC1C)=O)C(C)C)=O)CC3=CC=CC=C3)C)=O)C(O)CC2)CCCN=C(N)N)O
subset
- 2_STAR
synonym EXACT
- [3-[[5-benzyl-15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-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:220742
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