L-phenylalanine N-benzenesulfonyl-L-aspartic acid

HCID 86740983
Substructure searchFind similar structures

Basic information

Standard SMILES
N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)C[C@H](NS(=O)(=O)c1ccccc1)C(=O)O
InChIKey
LXBIQDZHJGYLGA-GRHHLOCNSA-N
Molecular formula
C19H22N2O8S
Average molar mass
438.5 g/mol

Names & identifiers

Preferred name
L-phenylalanine N-benzenesulfonyl-L-aspartic acid
IUPAC
(2S)-2-amino-3-phenylpropanoic acid;(2S)-2-(benzenesulfonamido)butanedioic acid

Names & synonyms

LXBIQDZHJGYLGA-GRHHLOCNSA-NL-phenylalanine N-benzenesulfonyl-L-aspartic acid

Database identifiers

PubChem CID
86740983

Properties

Computed structural properties

Topological polar surface area
192 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
10
Rotatable bonds
9
Heavy atoms
30

Related reactions

1 records
New reaction record

Linked notes

Loading…