N-benzyloxycarbonyl-beta-benzyl-L-aspartyl-D-alanine

HCID 53966575

Basic information

Standard SMILES
C[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(Cc1ccccc1)C(=O)O)C(=O)O
InChIKey
JOQQCSNVBMQZTP-CFNGDTMJSA-N
Molecular formula
C22H24N2O7
Average molar mass
428.4 g/mol
Monoisotopic mass
428.15835111

Names & identifiers

Preferred name
N-benzyloxycarbonyl-beta-benzyl-L-aspartyl-D-alanine
IUPAC
(3S)-2-benzyl-4-[[(1R)-1-carboxyethyl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid

Names & synonyms

SCHEMBL7757920JOQQCSNVBMQZTP-CFNGDTMJSA-Nbeta-benzyl-N-benzyloxycarbonyl-L-aspartyl-D-alanineN-benzyloxycarbonyl-beta-benzyl-L-aspartyl-D-alanineNalpha -benzyloxycarbonyl-beta-benzyl-L-aspartyl-D-alanine

Database identifiers

PubChem CID
53966575

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
142 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
7
Rotatable bonds
11
Heavy atoms
31

Related reactions

7 records

Linked notes

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