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Fmoc-Ala-PAB-PNP

CAT: 0804-HY-W591441Size: 1 EachDry Ice: NoHazardous: No
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Description
Fmoc-Ala-PAB-PNP is an Alanine linked to 4-aminobenzoiate (PAB) with terminal Fmoc and PNP groups. The Fmoc group can be deprotected under basic conditions to release the free amine which can be used for further conjugations. PNP is a good leaving group when reacting with an amine-bearing payload.
CAS Number
1491136-21-0
UNSPSC
12352005
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Smiles
C[C@@H](C(NC1=CC=C(C=C1)COC(OC2=CC=C(C=C2)[N+]([O-])=O)=O)=O)NC(OCC3C4=CC=CC=C4C5=CC=CC=C53)=O
Molecular Formula
C32H27N3O8
Molecular Weight
581.57
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Fmoc-Ala-PAB-PNP
CAS Number1491136-21-0
PubChem CID167312938
IUPAC Name[4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate
Molecular FormulaC32H27N3O8
Molecular Weight581.6
XLogP5.8
Topological Polar Surface Area149
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count43
Formal Charge0
Complexity950
SMILES
C[C@@H](C(=O)NC1=CC=C(C=C1)COC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C32H27N3O8/c1-20(33-31(37)41-19-29-27-8-4-2-6-25(27)26-7-3-5-9-28(26)29)30(36)34-22-12-10-21(11-13-22)18-42-32(38)43-24-16-14-23(15-17-24)35(39)40/h2-17,20,29H,18-19H2,1H3,(H,33,37)(H,34,36)/t20-/m0/s1
InChIKey
ODXKCZQROHNIJD-FQEVSTJZSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-Ala-PAB-PNP
CAS: 1491136-21-0
CID: 167312938
Formula: C32H27N3O8
MW: 581.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight581.6
XLogP35.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass581.17981483
Monoisotopic Mass581.17981483
Topological Polar Surface Area149 Ų
Heavy Atom Count43
Formal Charge0
Complexity950
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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