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6-(3-Benzyloxycarbonylaminopropionylamino)-hexanoic acid

HCID 69296596
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)CCCCCNC(=O)CCNC(=O)OCc1ccccc1
InChIKey
RDKGZBDEDUTZND-UHFFFAOYSA-N
Molecular formula
C17H24N2O5
Average molar mass
336.4 g/mol
Monoisotopic mass
336.16852187

Names & identifiers

Preferred name
6-(3-Benzyloxycarbonylaminopropionylamino)-hexanoic acid
IUPAC
6-[3-(phenylmethoxycarbonylamino)propanoylamino]hexanoic acid

Names & synonyms

SCHEMBL5058688RDKGZBDEDUTZND-UHFFFAOYSA-N6-(3-Benzyloxycarbonylaminopropionylamino)-hexanoic acid

Database identifiers

PubChem CID
69296596

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
105 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
12
Heavy atoms
24
Formal charge
0
Complexity
394

Related reactions

4 records
New reaction record
HRID 249629 reaction equation
HRID 249629As productuspto-grants-2011_01
HRID 249630 reaction equation
HRID 249630As reactantuspto-grants-2011_01
HRID 1203626 reaction equation
HRID 1203626As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 2133538 reaction equation
HRID 2133538As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes