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Fmoc-L-Phe-CHN2

CAT: 0024-sc-285786Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-285786Size:1 g
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CAS Number
172097-41-5

Chemical Information

(S)-3-Fmoc-amino-1-diazo-3-phenyl-2-butanone
CAS Number172097-41-5
PubChem CID97546066
IUPAC Name9H-fluoren-9-ylmethyl N-[(2S)-4-diazo-3-oxo-1-phenylbutan-2-yl]carbamate
Molecular FormulaC25H21N3O3
Molecular Weight411.5
XLogP4.8
Topological Polar Surface Area57.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity661
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)C=[N+]=[N-])NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C25H21N3O3/c26-27-15-24(29)23(14-17-8-2-1-3-9-17)28-25(30)31-16-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,15,22-23H,14,16H2,(H,28,30)/t23-/m0/s1
InChIKey
IYDQDADXJDTFLP-QHCPKHFHSA-N
Chemical Structure
2D Structure
2D structure of (S)-3-Fmoc-amino-1-diazo-3-phenyl-2-butanone
CAS: 172097-41-5
CID: 97546066
Formula: C25H21N3O3
MW: 411.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight411.5
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass411.15829154
Monoisotopic Mass411.15829154
Topological Polar Surface Area57.4 Ų
Heavy Atom Count31
Formal Charge0
Complexity661
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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