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(Q104167372)
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English
15-hydroxy-1,11-bis(methylsulfanyl)-2,12-dioxo-3,13-diazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]icosa-6,8,16,18-tetraen-5-yl 3-hydroxy-2,4,6-trimethyl-5-oxooct-6-enoate
group of stereoisomers with the chemical formula C₃₁H₃₈N₂O₇S₂
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Statements
instance of
group of stereoisomers
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subclass of
biogenic 2,5-diketopiperazine
1 reference
inferred from
biogenic 2,5-diketopiperazine
mass
614.2120435559999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₁H₃₈N₂O₇S₂
0 references
canonical SMILES
O=C(OC1C=CC=C2CC3(SC)C(=O)N4C5C(=CC=CC5O)CC4(SC)C(=O)N3C21)C(C)C(O)C(C(=O)C(=CC)C)C
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Identifiers
InChI
InChI=1S/C31H38N2O7S2/c1-7-16(2)25(35)17(3)26(36)18(4)27(37)40-22-13-9-11-20-15-31(42-6)28(38)32-23-19(10-8-12-21(23)34)14-30(32,41-5)29(39)33(31)24(20)22/h7-13,17-18,21-24,26,34,36H,14-15H2,1-6H3
0 references
InChIKey
GPWZATSZSLEEBD-UHFFFAOYSA-N
0 references
PubChem CID
163063646
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GPWZATSZSLEEBD-UHFFFAOYSA-N
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