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Fmoc-[15N]Val-OH

CAT: 0926-FF111322-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-FF111322-01Size:250 mg
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CAS Number
125700-35-8
MDL Number
MFCD00190536
Smiles
CC (C) [C@@H] (C (=O) O) [15NH]C (=O) OCC1C2=CC=CC=C2C3=CC=CC=C13
Controlled
No

Chemical Information

Fmoc-Val-OH-15N
CAS Number125700-35-8
PubChem CID16213322
IUPAC Name(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid
Molecular FormulaC20H21NO4
Molecular Weight340.4
XLogP4
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity470
SMILES
CC(C)[C@@H](C(=O)O)[15NH]C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C20H21NO4/c1-12(2)18(19(22)23)21-20(24)25-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17-18H,11H2,1-2H3,(H,21,24)(H,22,23)/t18-/m0/s1/i21+1
InChIKey
UGNIYGNGCNXHTR-STBUMTBBSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-Val-OH-15N
CAS: 125700-35-8
CID: 16213322
Formula: C20H21NO4
MW: 340.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight340.4
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass340.14409305
Monoisotopic Mass340.14409305
Topological Polar Surface Area75.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity470
Isotope Atom Count1
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes