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(Q72509003)
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English
4-(L-Threonine)oxytocin
chemical compound
1,2-Dithia-5,8,11,14,17-pentaazacycloeicosane, cyclic peptide deriv.
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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chemical formula
C₄₂H₆₅N₁₁O₁₂S₂
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canonical SMILES
CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(=O)N2CCCC2C(=O)NC(CC(C)C)C(=O)NCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(C(C)O)NC1=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C42H65N11O12S2/c1-6-21(4)33-40(63)52-34(22(5)54)41(64)49-28(16-31(44)56)37(60)50-29(19-67-66-18-25(43)35(58)47-27(38(61)51-33)15-23-9-11-24(55)12-10-23)42(65)53-13-7-8-30(53)39(62)48-26(14-20(2)3)36(59)46-17-32(45)57/h9-12,20-22,25-30,33-34,54-55H,6-8,13-19,43H2,1-5H3,(H2,44,56)(H2,45,57)(H,46,59)(H,47,58)(H,48,62)(H,49,64)(H,50,60)(H,51,61)(H,52,63)
0 references
InChIKey
ZDRRIRUAESZNIH-UHFFFAOYSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
26995-91-5
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PubChem CID
62819
1 reference
matched by identifier from
InChIKey
InChIKey
ZDRRIRUAESZNIH-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0259726
1 reference
matched by identifier from
InChIKey
InChIKey
ZDRRIRUAESZNIH-UHFFFAOYSA-N
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