Concept information
Preferred term
Anabaenopeptin J
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C41H59N7O9
inchi
- InChI=1S/C41H59N7O9/c1-7-25(4)34(40(55)56)47-41(57)45-30-15-11-12-22-42-36(51)32(23-28-13-9-8-10-14-28)44-35(50)26(5)48(6)39(54)31(21-18-27-16-19-29(49)20-17-27)43-38(53)33(24(2)3)46-37(30)52/h8-10,13-14,16-17,19-20,24-26,30-34,49H,7,11-12,15,18,21-23H2,1-6H3,(H,42,51)(H,43,53)(H,44,50)(H,46,52)(H,55,56)(H2,45,47,57)/t25-,26+,30-,31+,32+,33+,34+/m1/s1
inchikey
- QRBPBHIXDXCIEN-XNEPBORXSA-N
mass
- 793.963
monoisotopicmass
- 793.43743
smiles
- O=C1N([C@H](C(=O)N[C@H](C(=O)NCCCC[C@H](C(N[C@H](C(N[C@H]1CCC2=CC=C(O)C=C2)=O)C(C)C)=O)NC(=O)N[C@H](C(=O)O)[C@@H](CC)C)CC3=CC=CC=C3)C)C
subset
- 2_STAR
synonym EXACT
- (2S,3R)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-methylpentanoic acid
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:207157
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