Concept information
Preferred term
کوتوکسین BZR IV
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C47H69N7O9
inchi
- InChI=1S/C47H69N7O9/c1-11-29(7)38-45(60)48-26-37(55)49-31(9)41(56)50-34(24-32-19-15-13-16-20-32)43(58)53-39(30(8)12-2)47(62)63-40(28(5)6)46(61)54(10)36(23-27(3)4)44(59)51-35(42(57)52-38)25-33-21-17-14-18-22-33/h13-22,27-31,34-36,38-40H,11-12,23-26H2,1-10H3,(H,48,60)(H,49,55)(H,50,56)(H,51,59)(H,52,57)(H,53,58)/t29-,30-,31+,34-,35-,36-,38-,39-,40-/m0/s1
inchikey
- HYRIAKASPMEAMO-VKJNQXOZSA-N
mass
- 876.109
monoisotopicmass
- 875.51568
smiles
- O=C1O[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(N[C@@H](C(N[C@H](C(N[C@H]1[C@H](CC)C)=O)CC2=CC=CC=C2)=O)C)=O)[C@H](CC)C)CC3=CC=CC=C3)CC(C)C)C)C(C)C
subset
- 2_STAR
synonym EXACT
- (3S,6S,9R,15S,18S,21S,24S)-6,18-dibenzyl-3,15-bis[(2S)-butan-2-yl]-9,22-dimethyl-21-(2-methylpropyl)-24-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclotetracosane-2,5,8,11,14,17,20,23-octone
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:207997
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