Concept information
Preferred term
ایلامایسین B2
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C54H77N9O11
inchi
- InChI=1S/C54H77N9O11/c1-13-14-18-37-47(65)59-40(27-35-28-62(54(9,10)46-29-74-46)41-19-16-15-17-36(35)41)53(71)61(12)44(24-32(6)7)51(69)58-39(25-34-20-21-45(64)42(26-34)63(72)73)48(66)55-33(8)52(70)60(11)43(23-31(4)5)50(68)57-38(22-30(2)3)49(67)56-37/h13-17,19-21,26,28,30-33,37-40,43-44,46,64H,18,22-25,27,29H2,1-12H3,(H,55,66)(H,56,67)(H,57,68)(H,58,69)(H,59,65)/b14-13+/t33-,37-,38-,39-,40-,43-,44-,46+/m0/s1
inchikey
- MITIRDUVDFDKHI-CFTAYRILSA-N
mass
- 1028.262
monoisotopicmass
- 1027.57425
smiles
- O=[N+]([O-])C1=C(O)C=CC(=C1)C[C@@H]2NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC([C@@H](NC([C@@H](N(C([C@@H](NC2=O)C)=O)C)CC(C)C)=O)CC(C)C)=O)C/C=C/C)CC=3C4=C(C=CC=C4)N(C3)C([C@@H]5OC5)(C)C)C)CC(C)C
subset
- 2_STAR
synonym EXACT
- (3S,6S,9S,12S,15S,18S,21S)-15-[(E)-but-2-enyl]-6-[(4-hydroxy-3-nitrophenyl)methyl]-1,3,10-trimethyl-9,18,21-tris(2-methylpropyl)-12-[[1-[2-[(2S)-oxiran-2-yl]propan-2-yl]indol-3-yl]methyl]-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptone
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:212296
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