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N-(3-aminopropyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide

HCID 16218436
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
NCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
InChIKey
LKPUEUXUOQHTRS-NHCYSSNCSA-N
Molecular formula
C13H24N4O2S
Average molar mass
300.42 g/mol

Names & identifiers

Preferred name
N-(3-aminopropyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide
IUPAC
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-(3-aminopropyl)pentanamide

Names & synonyms

N-(+)-Biotinyl-3-aminopropylammoniumN-(3-aminopropyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide244760-25-6N-(3-Aminopropyl)biotinamidestarbld0041628SCHEMBL6034966LKPUEUXUOQHTRS-NHCYSSNCSA-NAKOS026745691

Database identifiers

PubChem CID
16218436

Properties

Computed structural properties

XLogP
-0.5
Topological polar surface area
122 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
20
Formal charge
0
Complexity
353

Related reactions

2 records
New reaction record
HRID 1525415 reaction equation
HRID 1525415As reactantuspto-grants-2015_07
HRID 1775548 reaction equation
HRID 1775548As reactantuspto-grants-2016_02

Compound notes

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