2-[Benzyl-(4-methoxyphenyl)sulfonylamino]-3-(2-methyltetrazol-5-yl)propanoic acid

HCID 22907136
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(S(=O)(=O)N(Cc2ccccc2)C(Cc2nnn(C)n2)C(=O)O)cc1
InChIKey
VMLXDMRIKDOLBM-UHFFFAOYSA-N
Molecular formula
C19H21N5O5S
Average molar mass
431.5 g/mol
Monoisotopic mass
431.12633996

Names & identifiers

Preferred name
2-[Benzyl-(4-methoxyphenyl)sulfonylamino]-3-(2-methyltetrazol-5-yl)propanoic acid
IUPAC
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-3-(2-methyltetrazol-5-yl)propanoic acid

Names & synonyms

SCHEMBL7344850

Database identifiers

PubChem CID
22907136

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
136 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
9
Heavy atoms
30

Related reactions

2 records
New reaction record

Compound notes

Loading…