Concept information
Preferred term
آناسیکلامید A7
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C45H65N13O10
inchi
- InChI=1S/C45H65N13O10/c1-25(2)36-42(67)56-33(24-27-14-16-28(59)17-15-27)43(68)58-22-8-13-34(58)41(66)54-30(12-7-21-51-45(48)49)37(62)53-31(18-19-35(60)61)39(64)52-29(11-6-20-50-44(46)47)38(63)55-32(40(65)57-36)23-26-9-4-3-5-10-26/h3-5,9-10,14-17,25,29-34,36,59H,6-8,11-13,18-24H2,1-2H3,(H,52,64)(H,53,62)(H,54,66)(H,55,63)(H,56,67)(H,57,65)(H,60,61)(H4,46,47,50)(H4,48,49,51)/t29-,30-,31-,32-,33-,34-,36-/m0/s1
inchikey
- FOHPTXTVCQDQBY-FKNKHIKMSA-N
mass
- 948.096
monoisotopicmass
- 947.49774
smiles
- O=C1N2[C@H](C(=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]1CC3=CC=C(O)C=C3)=O)C(C)C)=O)CC4=CC=CC=C4)=O)CCCN=C(N)N)CCC(=O)O)CCCN=C(N)N)CCC2
subset
- 2_STAR
synonym EXACT
- 3-[(3S,6S,9S,12S,15S,18S,21S)-9-benzyl-12,18-bis[3-(diaminomethylideneamino)propyl]-3-[(4-hydroxyphenyl)methyl]-2,5,8,11,14,17,20-heptaoxo-6-propan-2-yl-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosan-15-yl]propanoic acid
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:221763
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