conjupepdb_log

View Conjugates details

ConjuPepDB ID: cpd01551

Chemical structure


molecule
3D viewer Help Icon Use the buttons at the bottom of Jsmol viewer to see different representations, ON/OFF Hydrogens, and ON/OFF rotation.

3D model is for representation purpose only.

cpd01551


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
RKQMAVKKYLN 3H-Indolium, 5-carboxy-2-[7-[1,3-dihydro-3,3-dimethyl-1-(4-sulfobutyl)-2H-indol-2-ylidene]-1,3,5-heptatrien-1-yl]-3,3-dimethyl-1-(4-sulfobutyl)-, inner salt
Identification
ConjuPepDB ID

cpd01551

Smiles
Molecular weight

2057.04

Molecular formula

C97H150N21O22S3

Chemical name
Peptide information
Sequence (one letter)

RKQMAVKKYLN

Length

11

Peptide name

vasoactive intestinal peptide (VIP) fragment

External ID
CAS number

273383-48-5

Other information
Application

Synthesis and analytics

Additional function

Potential fluorescent contrast agents targeted to tumor-specific receptors

Pharmacological class

other

Conjugate type

amide

Linker

no

Small molecule

3H-Indolium, 5-carboxy-2-[7-[1,3-dihydro-3,3-dimethyl-1-(4-sulfobutyl)-2H-indol-2-ylidene]-1,3,5-heptatrien-1-yl]-3,3-dimethyl-1-(4-sulfobutyl)-, inner salt

Small molecule CAS

208243-29-2

Structure method

RP-HPLC, MALDI-TOF MS

Calculated properties
LogP

-10.45419

Rotatable bonds

66

H bond donor

23

H bond acceptor

29

Polar surface area (PSA)

718.76000

Citations
ID Title Year Authors Journal DOI

cpdart0241

Highly parallel nano-synthesis of cleavable peptide-dye conjugates on cellulose membranes

2000

Licha, Kai; Bhargava, Sarah; Rheinlander, Christiane; Becker, Andreas; Schneider-Mergener, Jens; Volkmer-Engert, Rudolf

Tetrahedron Letters

..