Concept information
Preferred term
W493 D
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C45H71N7O11
inchi
- InChI=1S/C45H71N7O11/c1-8-10-11-12-13-14-15-16-17-27(4)35-25-37(56)51-39(30(7)53)44(61)48-28(5)40(57)47-29(6)41(58)49-33(22-23-36(46)55)42(59)50-34(24-31-18-20-32(54)21-19-31)43(60)52-38(26(3)9-2)45(62)63-35/h14-15,18-21,26-30,33-35,38-39,53-54H,8-13,16-17,22-25H2,1-7H3,(H2,46,55)(H,47,57)(H,48,61)(H,49,58)(H,50,59)(H,51,56)(H,52,60)/b15-14+/t26?,27-,28+,29-,30-,33+,34-,35+,38+,39-/m1/s1
inchikey
- YXCZNNIFUSNYIQ-ZHXBSKAQSA-N
mass
- 886.101
monoisotopicmass
- 885.52116
smiles
- O=C1O[C@H]([C@@H](CC/C=C/CCCCCC)C)CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(N[C@H](C(N[C@@H](C(N[C@H]1C(CC)C)=O)CC2=CC=C(O)C=C2)=O)CCC(=O)N)=O)C)C)[C@H](O)C
subset
- 2_STAR
synonym EXACT
- 3-[(3S,6R,9S,12R,15S,18R,22S)-3-butan-2-yl-22-[(E,2R)-dodec-5-en-2-yl]-18-[(1R)-1-hydroxyethyl]-6-[(4-hydroxyphenyl)methyl]-12,15-dimethyl-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexazacyclodocos-9-yl]propanamide
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:212966
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