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View Conjugates details

ConjuPepDB ID: cpd00602

Chemical structure


molecule
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cpd00602


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
GLS 1,5,9-Triazacyclododecane-1-acetic acid
Identification
ConjuPepDB ID

cpd00602

Smiles
Inchi Key

InChIKey=SDSVHHNDESHKCU-ZEQRLZLVSA-N

Molecular weight

643.416

Molecular formula

C31H57N5O9

Chemical name
Peptide information
Sequence (one letter)

GLS

Length

3

Peptide name

tripeptide

External ID
CAS number

1367281-23-9

Other information
Application

Synthesis

Additional function

DNA cleaving, metal-free

Conjugate type

amine

Linker

no

Small molecule

1,5,9-Triazacyclododecane-1-acetic acid

Small molecule CAS

1334610-50-2

Small molecule structure

Structure method

1H- and 13C-NMR

Calculated properties
LogP

0.79414

Rotatable bonds

14

H bond donor

3

H bond acceptor

7

Polar surface area (PSA)

167.05000

Citations
ID Title Year Authors Journal DOI

Cpdart0096

Synthesis of [12]aneN3-dipeptide conjugates as metal-free DNA nucleases

2012

Li, Zhi-Fen; Chen, Hua-Long; Zhang, Li-Jun; Lu, Zhong-Lin

Bioorganic & Medicinal Chemistry Letters

..