(S)-2-[2-(Benzo[1,2,5]thiadiazole-4-sulfonylamino)-4-bromo-benzoylamino]-3-(3-bromo-4-chloro-phenyl)-propionic acid

HCID 45487002
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Basic information

Standard SMILES
O=C(N[C@@H](Cc1ccc(Cl)c(Br)c1)C(=O)O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12
InChIKey
XIBRIFALUALBJO-SFHVURJKSA-N
Molecular formula
C22H15Br2ClN4O5S2
Average molar mass
674.8 g/mol

Names & identifiers

Preferred name
(S)-2-[2-(Benzo[1,2,5]thiadiazole-4-sulfonylamino)-4-bromo-benzoylamino]-3-(3-bromo-4-chloro-phenyl)-propionic acid
IUPAC
(2S)-2-[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-bromobenzoyl]amino]-3-(3-bromo-4-chlorophenyl)propanoic acid

Names & synonyms

CHEMBL570520SCHEMBL3750415XIBRIFALUALBJO-SFHVURJKSA-NBDBM50415085(S)-2-[2-(Benzo[1,2,5]thiadiazole-4-sulfonylamino)-4-bromo-benzoylamino]-3-(3-bromo-4-chloro-phenyl)-propionic acid

Database identifiers

PubChem CID
45487002
ChEMBL
CHEMBL570520

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
175 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
9
Rotatable bonds
8
Heavy atoms
36

Related reactions

2 records
New reaction record

Compound notes

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