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Fmoc-Val-Pro-OH

CAT: 0127-OR36395-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR36395-01Size:1 g
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CAS Number
109425-49-2
MDL Number
MFCD00237675
Purity
=95%
Smiles
CC(C)[C@H](NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)N4CCC[C@H]4C(=O)O

Chemical Information

Fmoc-Val-Pro-OH
CAS Number109425-49-2
PubChem CID54198008
IUPAC Name(2S)-1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
Molecular FormulaC25H28N2O5
Molecular Weight436.5
XLogP4.1
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity688
SMILES
CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C25H28N2O5/c1-15(2)22(23(28)27-13-7-12-21(27)24(29)30)26-25(31)32-14-20-18-10-5-3-8-16(18)17-9-4-6-11-19(17)20/h3-6,8-11,15,20-22H,7,12-14H2,1-2H3,(H,26,31)(H,29,30)/t21-,22-/m0/s1
InChIKey
PNFSGKNIZOXLKU-VXKWHMMOSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-Val-Pro-OH
CAS: 109425-49-2
CID: 54198008
Formula: C25H28N2O5
MW: 436.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight436.5
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass436.19982200
Monoisotopic Mass436.19982200
Topological Polar Surface Area95.9 Ų
Heavy Atom Count32
Formal Charge0
Complexity688
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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