(2S,4R)-2-[(Z)-5-carboxy-1-pentenyl]-4-(4-chlorophenylsulfonylamino)-1-(3-pyridylmethyl)pyrrolidine

HCID 6913587
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Basic information

Standard SMILES
O=C(O)CCC/C=C\[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)CN1Cc1cccnc1
InChIKey
QOGAFDXRUCVFGM-BBNLEYJNSA-N
Molecular formula
C22H26ClN3O4S
Average molar mass
464 g/mol

Names & identifiers

Preferred name
(2S,4R)-2-[(Z)-5-carboxy-1-pentenyl]-4-(4-chlorophenylsulfonylamino)-1-(3-pyridylmethyl)pyrrolidine
IUPAC
(Z)-6-[(2S,4R)-4-[(4-chlorophenyl)sulfonylamino]-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]hex-5-enoic acid

Names & synonyms

SCHEMBL9006081QOGAFDXRUCVFGM-BBNLEYJNSA-N(2S,4R)-2-[(Z)-5-carboxy-1-pentenyl]-4-(4-chlorophenylsulfonylamino)-1-(3-pyridylmethyl)pyrrolidine

Database identifiers

PubChem CID
6913587
Nikkaji
J1.389.225C、J750.972C

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
108 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
10
Heavy atoms
31

Related reactions

2 records
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Compound notes

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