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Fmoc-β-Homo-Phe-OH

CAT: 0607-A6670-100000Size: 100 gDry Ice: NoHazardous: No
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CAT#:0607-A6670-100000Size:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
204384-69-0
Product Name Alternative
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-phenylbutanoic acid
Purity
0.98
Smiles
C1=CC=C(C=C1)CC(CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
Molecular Formula
C25H23NO4
Molecular Weight
401.45
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(4-(tert-butoxy)phenyl)butanoic acid
CAS Number204384-69-0
PubChem CID51340557
IUPAC Name(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanoic acid
Molecular FormulaC29H31NO5
Molecular Weight473.6
XLogP6
Topological Polar Surface Area84.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count35
Formal Charge0
Complexity688
SMILES
CC(C)(C)OC1=CC=C(C=C1)CC[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C29H31NO5/c1-29(2,3)35-20-15-12-19(13-16-20)14-17-26(27(31)32)30-28(33)34-18-25-23-10-6-4-8-21(23)22-9-5-7-11-24(22)25/h4-13,15-16,25-26H,14,17-18H2,1-3H3,(H,30,33)(H,31,32)/t26-/m0/s1
InChIKey
FKUBPXDMQFEPGP-SANMLTNESA-N
Chemical Structure
2D Structure
2D structure of (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(4-(tert-butoxy)phenyl)butanoic acid
CAS: 204384-69-0
CID: 51340557
Formula: C29H31NO5
MW: 473.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight473.6
XLogP36
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass473.22022309
Monoisotopic Mass473.22022309
Topological Polar Surface Area84.9 Ų
Heavy Atom Count35
Formal Charge0
Complexity688
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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