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(Q72483297)
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English
N-Iodoacetyl-N'-biotinyl-1,6-hexanediamine
chemical compound
(3aS,4S,6aR)-Hexahydro-N-[6-[(iodoacetyl)amino]hexyl]-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamide
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
510.116159852
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₈H₃₁IN₄O₃S
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canonical SMILES
O=C(CI)NCCCCCCNC(=O)CCCCC1SCC2NC(=O)NC21
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCCNC(=O)CI)NC(=O)N2
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Identifiers
InChI
InChI=1S/C18H31IN4O3S/c19-11-16(25)21-10-6-2-1-5-9-20-15(24)8-4-3-7-14-17-13(12-27-14)22-18(26)23-17/h13-14,17H,1-12H2,(H,20,24)(H,21,25)(H2,22,23,26)/t13-,14-,17-/m0/s1
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InChIKey
DNXDWMHPTVQBIP-ZQIUZPCESA-N
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CAS Registry Number
93285-75-7
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PubChem CID
125043
1 reference
matched by identifier from
InChIKey
InChIKey
DNXDWMHPTVQBIP-ZQIUZPCESA-N
UniChem compound ID
13464307
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90918564
1 reference
matched by identifier from
InChIKey
InChIKey
DNXDWMHPTVQBIP-ZQIUZPCESA-N
DSSTOX compound identifier
DTXCID201347512
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