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Fmoc-L-beta-homoglutamine

CAT: 0024-sc-285767Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-285767Size:250 mg
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CAS Number
283160-17-8

Chemical Information

(S)-5-Carbamoyl-3-(9H-fluoren-9-ylmethoxycarbonyl-amino)-pentanoic acid
CAS Number283160-17-8
PubChem CID7010013
IUPAC Name(3S)-6-amino-3-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxohexanoic acid
Molecular FormulaC21H22N2O5
Molecular Weight382.4
XLogP1.8
Topological Polar Surface Area119
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count28
Formal Charge0
Complexity559
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CCC(=O)N)CC(=O)O
InChI
InChI=1S/C21H22N2O5/c22-19(24)10-9-13(11-20(25)26)23-21(27)28-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18H,9-12H2,(H2,22,24)(H,23,27)(H,25,26)/t13-/m0/s1
InChIKey
GMXKYUGMPJITQT-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of (S)-5-Carbamoyl-3-(9H-fluoren-9-ylmethoxycarbonyl-amino)-pentanoic acid
CAS: 283160-17-8
CID: 7010013
Formula: C21H22N2O5
MW: 382.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight382.4
XLogP31.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass382.15287181
Monoisotopic Mass382.15287181
Topological Polar Surface Area119 Ų
Heavy Atom Count28
Formal Charge0
Complexity559
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