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Nalpha-Fmoc-D-histidine

CAT: 0024-sc-286505ASize: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-286505ASize:5 g
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CAS Number
157355-79-8

Chemical Information

(2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(1H-imidazol-4-yl)propanoic acid
CAS Number157355-79-8
PubChem CID7019712
IUPAC Name(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid
Molecular FormulaC21H19N3O4
Molecular Weight377.4
XLogP2.8
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity550
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC4=CN=CN4)C(=O)O
InChI
InChI=1S/C21H19N3O4/c25-20(26)19(9-13-10-22-12-23-13)24-21(27)28-11-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,10,12,18-19H,9,11H2,(H,22,23)(H,24,27)(H,25,26)/t19-/m1/s1
InChIKey
SIRPVCUJLVXZPW-LJQANCHMSA-N
Chemical Structure
2D Structure
2D structure of (2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(1H-imidazol-4-yl)propanoic acid
CAS: 157355-79-8
CID: 7019712
Formula: C21H19N3O4
MW: 377.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.4
XLogP32.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass377.13755610
Monoisotopic Mass377.13755610
Topological Polar Surface Area104 Ų
Heavy Atom Count28
Formal Charge0
Complexity550
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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