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Fmoc-Asp-Otbu

CAT: 1299-RM-F131524-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-F131524-01Size:10 mg
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CAS Number
129460-09-9
Synonyms
(S) -3- ((((9H-fluoren-9-yl) methoxy) carbonyl) amino) -4- (tert-butoxy) -4-oxobutanoic acid
Molecular Formula
C23H25NO6
Molecular Weight
411.45
Product Name Synonym
(S) -3- ((((9H-fluoren-9-yl) methoxy) carbonyl) amino) -4- (tert-butoxy) -4-oxobutanoic acid

Chemical Information

(S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid
CAS Number129460-09-9
PubChem CID7017910
IUPAC Name(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
Molecular FormulaC23H25NO6
Molecular Weight411.4
XLogP3.5
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity620
SMILES
CC(C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C23H25NO6/c1-23(2,3)30-21(27)19(12-20(25)26)24-22(28)29-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,24,28)(H,25,26)/t19-/m0/s1
InChIKey
VZXQYACYLGRQJU-IBGZPJMESA-N
Chemical Structure
2D Structure
2D structure of (S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid
CAS: 129460-09-9
CID: 7017910
Formula: C23H25NO6
MW: 411.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight411.4
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass411.16818752
Monoisotopic Mass411.16818752
Topological Polar Surface Area102 Ų
Heavy Atom Count30
Formal Charge0
Complexity620
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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