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Mal-PEG4-Val-Cit-PAB

CAT: 0607-BA2559-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA2559-1Size:1 mg
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CAS Number
1949793-41-2
Form
A solid
Molecular Formula
C36H55N7O12
Molecular Weight
777.86
Shipping Conditions
Blue ice
Storage Conditions
Tightly sealed and desiccated at -20°C.

Chemical Information

Mal-PEG4-Val-Cit-PAB
CAS Number1949793-41-2
PubChem CID129280705
IUPAC Name(2S)-5-(carbamoylamino)-2-[[(2S)-2-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]-N-[4-(hydroxymethyl)phenyl]pentanamide
Molecular FormulaC36H55N7O12
Molecular Weight777.9
XLogP-2.4
Topological Polar Surface Area266
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count29
Heavy Atom Count55
Formal Charge0
Complexity1240
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)CO)NC(=O)CCOCCOCCOCCOCCNC(=O)CCN2C(=O)C=CC2=O
InChI
InChI=1S/C36H55N7O12/c1-25(2)33(35(50)41-28(4-3-13-39-36(37)51)34(49)40-27-7-5-26(24-44)6-8-27)42-30(46)12-16-52-18-20-54-22-23-55-21-19-53-17-14-38-29(45)11-15-43-31(47)9-10-32(43)48/h5-10,25,28,33,44H,3-4,11-24H2,1-2H3,(H,38,45)(H,40,49)(H,41,50)(H,42,46)(H3,37,39,51)/t28-,33-/m0/s1
InChIKey
PEGLOOGTSQEDBL-UVMMSNCQSA-N
Chemical Structure
2D Structure
2D structure of Mal-PEG4-Val-Cit-PAB
CAS: 1949793-41-2
CID: 129280705
Formula: C36H55N7O12
MW: 777.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight777.9
XLogP3-2.4
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count29
Exact Mass777.39087022
Monoisotopic Mass777.39087022
Topological Polar Surface Area266 Ų
Heavy Atom Count55
Formal Charge0
Complexity1240
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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MBS5771150Mal-PEG4-Val-Cit-PAB
GTR19241253-01Mal-PEG4-Val-Cit-PAB-MMAE
HY-140143-01Mal-PEG4-Val-Cit-PAB-OH
OR1031668Mal-PEG4-Val-Cit-PAB-PNP
HY-177687N- (Mal-PEG4) -N- (PEG4-Val-Cit-PAB-MMAF) -N- (PEG4-Val-Cit-PAB-Exatecan)
HY-177680N- (Mal-PEG4) -N- (PEG4-Val-Cit-PAB-MMAE) -N- (PEG4-Val-Cit-PAB-Exatecan)
TYD-01869-01Mal-Amide-PEG4-Val-Cit-PAB-PNP
HY-177686N- (Azido-PEG4) -N- (PEG4-Val-Cit-PAB-MMAF) -N- (PEG4-Val-Cit-PAB-Exatecan)
HY-177685N- (TCO-PEG4) -N- (PEG4-Val-Cit-PAB-MMAE) -N- (PEG4-Val-Cit-PAB-Exatecan)
HY-177678N- (Azido-PEG4) -N- (PEG4-Val-Cit-PAB-MMAE) -N- (PEG4-Val-Cit-PAB-Exatecan)

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