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(Q104196592)
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English
3-hydroxy-N-[1-[[9-(1-hydroxyethyl)-12-(hydroxymethyl)-16-methyl-3,6-bis(2-methylpropyl)-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]amino]-4-methyl-1-oxopentan-2-yl]tetradec-7-enamide
group of stereoisomers with the chemical formula C₄₃H₇₆N₆O₁₁
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Statements
instance of
group of stereoisomers
0 references
subclass of
biogenic cyclopeptide
1 reference
inferred from
biogenic cyclopeptide
mass
852.5572072520001
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₄₃H₇₆N₆O₁₁
0 references
canonical SMILES
CCCCCCC=CCCCC(O)CC(=O)NC(CC(C)C)C(=O)NC1C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)OC1C
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Identifiers
InChI
InChI=1S/C43H76N6O11/c1-10-11-12-13-14-15-16-17-18-19-30(52)23-35(53)44-31(20-25(2)3)39(55)49-37-29(9)60-43(59)33(22-27(6)7)46-38(54)32(21-26(4)5)45-41(57)36(28(8)51)48-40(56)34(24-50)47-42(37)58/h15-16,25-34,36-37,50-52H,10-14,17-24H2,1-9H3,(H,44,53)(H,45,57)(H,46,54)(H,47,58)(H,48,56)(H,49,55)
0 references
InChIKey
RHJAHLYWTDULNL-UHFFFAOYSA-N
0 references
PubChem CID
163063109
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RHJAHLYWTDULNL-UHFFFAOYSA-N
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