(2R-cis)-1-[[[4-chloro-5-[[(chloromethyl)sulfonyl]amino]-2-fluorophenyl]amino]carbonyl]4-hydroxy-2-pyrrolidinecarboxylic acid

HCID 53809153

Basic information

Standard SMILES
O=C(O)[C@H]1C[C@@H](O)CN1C(=O)Nc1cc(NS(=O)(=O)CCl)c(Cl)cc1F
InChIKey
FNWHZLHQLSUBLZ-KSBSHMNSSA-N
Molecular formula
C13H14Cl2FN3O6S
Average molar mass
430.2 g/mol

Names & identifiers

Preferred name
(2R-cis)-1-[[[4-chloro-5-[[(chloromethyl)sulfonyl]amino]-2-fluorophenyl]amino]carbonyl]4-hydroxy-2-pyrrolidinecarboxylic acid
IUPAC
(2R,4R)-1-[[4-chloro-5-(chloromethylsulfonylamino)-2-fluorophenyl]carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

Names & synonyms

SCHEMBL7129879FNWHZLHQLSUBLZ-KSBSHMNSSA-N(2R-cis)-1-[[[4-chloro-5-[[(chloromethyl)sulfonyl]amino]-2-fluorophenyl]amino]carbonyl]-4-hydroxy-2-pyrrolidinecarboxylic acid(2R-cis)-1-[[[4-chloro-5-[[(chloromethyl)sulfonyl]amino]-2-fluorophenyl]amino]carbonyl]4-hydroxy-2-pyrrolidinecarboxylic acid

Database identifiers

PubChem CID
53809153

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
144 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
26

Related reactions

4 records

Compound notes

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