Concept information
Preferred term
آسپرژیلیسین B
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C37H54N6O9
inchi
- InChI=1S/C37H54N6O9/c1-8-11-26-34(47)42-18-10-13-28(42)36(49)43-19-9-12-27(43)35(48)41(6)29(20-24-14-16-25(51-7)17-15-24)32(45)40-30(21(2)3)37(50)52-22(4)31(33(46)39-26)38-23(5)44/h14-17,21-22,26-31H,8-13,18-20H2,1-7H3,(H,38,44)(H,39,46)(H,40,45)/t22-,26-,27+,28+,29+,30+,31+/m1/s1
inchikey
- WQYQLZJEDBPTDY-KZELWVORSA-N
mass
- 726.872
monoisotopicmass
- 726.39523
smiles
- O=C1O[C@@H]([C@H](NC(=O)C)C(=O)N[C@@H](C(=O)N2[C@@H](CCC2)C(N3[C@H](C(N([C@H](C(N[C@H]1C(C)C)=O)CC4=CC=C(OC)C=C4)C)=O)CCC3)=O)CCC)C
subset
- 2_STAR
synonym EXACT
- N-[(3S,9R,12S,13R,16S,19S,22S)-19-[(4-methoxyphenyl)methyl]-13,20-dimethyl-2,8,11,15,18,21-hexaoxo-16-propan-2-yl-9-propyl-14-oxa-1,7,10,17,20-pentazatricyclo[20.3.0.03,7]pentacosan-12-yl]acetamide
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:224846
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