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(Q104990931)
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English
cyclo[DL-Phe-DL-Pro-DL-xiThr(Unk)-Unk-DL-Val]
group of stereoisomers with the chemical formula C₃₆H₅₂N₆O₆S
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Statements
instance of
group of stereoisomers
0 references
subclass of
biogenic cyclopeptide
1 reference
inferred from
biogenic cyclopeptide
mass
696.366904384
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₆H₅₂N₆O₆S
0 references
canonical SMILES
C=CC(C)(C)OC(C)C1NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(C(C)C)NC(=O)C2CSC(=N2)C(C(C)C)NC1=O
0 references
found in taxon
Didemnum
1 reference
stated in
Mollamides B and C, Cyclic hexapeptides from the indonesian tunicate Didemnum molle
Identifiers
InChI
InChI=1S/C36H52N6O6S/c1-9-36(7,8)48-22(6)29-33(46)40-28(21(4)5)34-38-25(19-49-34)30(43)39-27(20(2)3)32(45)37-24(18-23-14-11-10-12-15-23)35(47)42-17-13-16-26(42)31(44)41-29/h9-12,14-15,20-22,24-29H,1,13,16-19H2,2-8H3,(H,37,45)(H,39,43)(H,40,46)(H,41,44)
0 references
InChIKey
DXCFOKOBTQHBHK-UHFFFAOYSA-N
0 references
PubChem CID
74348993
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DXCFOKOBTQHBHK-UHFFFAOYSA-N
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