6,10-Dihydroxy-4,12-dioctyl-3,13-dioxo-8-sulfoethyl-4,8,12-triaza-1,14-pentadecadiene-1,15-dicarboxylic acid

HCID 53732392
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCCCN(CC(O)CN(CCS(=O)(=O)O)CC(O)CN(CCCCCCCC)C(=O)C=CC(=O)O)C(=O)C=CC(=O)O
InChIKey
COUFXPNLZWZKFI-UHFFFAOYSA-N
Molecular formula
C32H57N3O11S
Average molar mass
691.9 g/mol

Names & identifiers

Preferred name
6,10-Dihydroxy-4,12-dioctyl-3,13-dioxo-8-sulfoethyl-4,8,12-triaza-1,14-pentadecadiene-1,15-dicarboxylic acid
IUPAC
4-[[3-[[3-[3-carboxyprop-2-enoyl(octyl)amino]-2-hydroxypropyl]-(2-sulfoethyl)amino]-2-hydroxypropyl]-octylamino]-4-oxobut-2-enoic acid

Names & synonyms

SCHEMBL8492869COUFXPNLZWZKFI-UHFFFAOYSA-N6,10-dihydroxy-4,12-dioctyl-3,13-dioxo-8-sulfoethyl-4,8,12-triaza-1,14-pentadecadiene-1,15-dicarboxylic acid

Database identifiers

PubChem CID
53732392

Properties

Computed structural properties

XLogP
1
Topological polar surface area
222 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
12
Rotatable bonds
29
Heavy atoms
47

Related reactions

1 records
New reaction record

Linked notes

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