t-butyl (2S)-2-(n-butylsulphonylamino)-3-[4-[3-(4-thiocarbamoylbenzoyl)ureido]phenyl]propionate

HCID 57230791
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCS(=O)(=O)N[C@@H](Cc1ccc(NC(=O)NC(=O)c2ccc(C(N)=S)cc2)cc1)C(=O)OC(C)(C)C
InChIKey
CJGQNDXJSVWGTA-NRFANRHFSA-N
Molecular formula
C26H34N4O6S2
Average molar mass
562.7 g/mol

Names & identifiers

Preferred name
t-butyl (2S)-2-(n-butylsulphonylamino)-3-[4-[3-(4-thiocarbamoylbenzoyl)ureido]phenyl]propionate
IUPAC
tert-butyl (2S)-2-(butylsulfonylamino)-3-[4-[(4-carbamothioylbenzoyl)carbamoylamino]phenyl]propanoate

Names & synonyms

CJGQNDXJSVWGTA-NRFANRHFSA-Nt-butyl (2S)-2-(n-butylsulphonylamino)-3-[4-[3-(4-thiocarbamoylbenzoyl)ureido]phenyl]propionate

Database identifiers

PubChem CID
57230791

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
197 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
8
Rotatable bonds
13
Heavy atoms
38

Related reactions

2 records
New reaction record

Compound notes

Loading…