Concept information
Preferred term
سیانوپپتولین CP1049
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C53H77N9O13
inchi
- InChI=1S/C53H77N9O13/c1-6-7-8-9-13-20-42(64)56-38(30-44(66)67)48(69)60-46-32(4)75-53(74)45(31(2)3)59-49(70)39(27-23-33-21-24-35(63)25-22-33)61(5)52(73)40(29-34-16-11-10-12-17-34)62-43(65)28-26-37(51(62)72)58-47(68)36(57-50(46)71)18-14-15-19-41(54)55/h10-12,16-17,21-22,24-25,31-32,36-40,43,45-46,63,65H,6-9,13-15,18-20,23,26-30H2,1-5H3,(H3,54,55)(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67)
inchikey
- XTMLAEGIWFDMIU-UHFFFAOYSA-N
mass
- 1048.249
monoisotopicmass
- 1047.56408
smiles
- O=C1OC(C(NC(=O)C(NC(=O)CCCCCCC)CC(=O)O)C(=O)NC(C(=O)NC2CCC(N(C(C(N(C(C(NC1C(C)C)=O)CCC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C2=O)O)CCCCC(=N)N)C
subset
- 2_STAR
synonym EXACT
- 4-[[15-(5-amino-5-iminopentyl)-2-benzyl-21-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]-4,11-dimethyl-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]-3-(octanoylamino)-4-oxobutanoic acid
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:213847
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