N-(7-oxododecanoyl)-L-alanyl-D-isoglutamine benzyl ester

HCID 22860847
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Basic information

Standard SMILES
CCCCCC(=O)CCCCCC(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(N)=O
InChIKey
NBVXLXCLPLXFDQ-NZQKXSOJSA-N
Molecular formula
C27H41N3O6
Average molar mass
503.6 g/mol

Names & identifiers

Preferred name
N-(7-oxododecanoyl)-L-alanyl-D-isoglutamine benzyl ester
IUPAC
benzyl (4R)-5-amino-5-oxo-4-[[(2S)-2-(7-oxododecanoylamino)propanoyl]amino]pentanoate

Names & synonyms

SCHEMBL7776616NBVXLXCLPLXFDQ-NZQKXSOJSA-NN-(7-oxododecanoyl)-L-alanyl-D-isoglutamine benzyl ester

Database identifiers

PubChem CID
22860847

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
145 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
20
Heavy atoms
36

Related reactions

1 records
New reaction record

Linked notes

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