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Azide-PEG1-Val-Cit-PABC-OH

CAT: 0607-C8673-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-C8673-5Size:5 mg
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Description
A cleavable 1 unit PEG ADC linker
CAS Number
2055041-40-0
Product Name Alternative
(S) -2- ((R) -2- (3- (2-azidoethoxy) propanamido) -3-methylbutanamido) -N- (4- (hydroxymethyl) phenyl) -5-ureidopentanamide
Purity
0.98
Smiles
[N-]=[N+]=NCCOCCC (N[C@H] (C (C) C) C (N[C@@H] (CCCNC (N) =O) C (NC1=CC=C (CO) C=C1) =O) =O) =O
Molecular Formula
C23H36N8O6
Molecular Weight
520.58
Storage Conditions
-20°C, sealed storage, away from moisture and light

Chemical Information

Azido-PEG1-Val-Cit-PAB-OH
CAS Number2055041-40-0
PubChem CID119058240
IUPAC Name(2S)-2-[[(2S)-2-[3-(2-azidoethoxy)propanoylamino]-3-methylbutanoyl]amino]-5-(carbamoylamino)-N-[4-(hydroxymethyl)phenyl]pentanamide
Molecular FormulaC23H36N8O6
Molecular Weight520.6
XLogP0.5
Topological Polar Surface Area186
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Heavy Atom Count37
Formal Charge0
Complexity781
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)CO)NC(=O)CCOCCN=[N+]=[N-]
InChI
InChI=1S/C23H36N8O6/c1-15(2)20(30-19(33)9-12-37-13-11-27-31-25)22(35)29-18(4-3-10-26-23(24)36)21(34)28-17-7-5-16(14-32)6-8-17/h5-8,15,18,20,32H,3-4,9-14H2,1-2H3,(H,28,34)(H,29,35)(H,30,33)(H3,24,26,36)/t18-,20-/m0/s1
InChIKey
BDMOXMNQSIHXBI-ICSRJNTNSA-N
Chemical Structure
2D Structure
2D structure of Azido-PEG1-Val-Cit-PAB-OH
CAS: 2055041-40-0
CID: 119058240
Formula: C23H36N8O6
MW: 520.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight520.6
XLogP30.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Exact Mass520.27578090
Monoisotopic Mass520.27578090
Topological Polar Surface Area186 Ų
Heavy Atom Count37
Formal Charge0
Complexity781
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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