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Fmoc-L-β-Tyr-OH

CAT: 0127-OR1102481-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1102481-01Size:100 mg
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CAS Number
501015-33-4
MDL Number
MFCD03427979
Purity
96%
Smiles
O=C (O) C[C@H] (NC (OCC1C2=C (C3=C1C=CC=C3) C=CC=C2) =O) C4=CC=C (O) C=C4

Chemical Information

(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-hydroxyphenyl)propanoic acid
CAS Number501015-33-4
PubChem CID7023351
IUPAC Name(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-hydroxyphenyl)propanoic acid
Molecular FormulaC24H21NO5
Molecular Weight403.4
XLogP3.7
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity580
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC(=O)O)C4=CC=C(C=C4)O
InChI
InChI=1S/C24H21NO5/c26-16-11-9-15(10-12-16)22(13-23(27)28)25-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22,26H,13-14H2,(H,25,29)(H,27,28)/t22-/m0/s1
InChIKey
VJELJMCALKYCRN-QFIPXVFZSA-N
Chemical Structure
2D Structure
2D structure of (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-hydroxyphenyl)propanoic acid
CAS: 501015-33-4
CID: 7023351
Formula: C24H21NO5
MW: 403.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight403.4
XLogP33.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass403.14197277
Monoisotopic Mass403.14197277
Topological Polar Surface Area95.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity580
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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