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Fmoc-D-Cys (Acm) -OH

CAT: 0121-4014984.0001Size: 1 gDry Ice: NoHazardous: No
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CAT#:0121-4014984.0001Size:1 g
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CAS Number
168300-88-7
Specifications
B-1890.0001
Sequence
Fmoc-D-Cys (Acm) -OH
Molecular Formula
C₂₁H₂₂N₂O₅S
Molecular Weight
414.48
Shipping Conditions
Ambient Temperature
Storage Temperature
Room temperature

Chemical Information

N-alpha-(9-Fluorenylmethyloxycarbonyl)-S-(acetyl-aminomethyl)-D-cysteine
CAS Number168300-88-7
PubChem CID7018818
IUPAC Name(2S)-3-(acetamidomethylsulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Molecular FormulaC21H22N2O5S
Molecular Weight414.5
XLogP2.7
Topological Polar Surface Area130
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count29
Formal Charge0
Complexity580
SMILES
CC(=O)NCSC[C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C21H22N2O5S/c1-13(24)22-12-29-11-19(20(25)26)23-21(27)28-10-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,18-19H,10-12H2,1H3,(H,22,24)(H,23,27)(H,25,26)/t19-/m1/s1
InChIKey
CSMYOORPUGPKAP-LJQANCHMSA-N
Chemical Structure
2D Structure
2D structure of N-alpha-(9-Fluorenylmethyloxycarbonyl)-S-(acetyl-aminomethyl)-D-cysteine
CAS: 168300-88-7
CID: 7018818
Formula: C21H22N2O5S
MW: 414.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.5
XLogP32.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass414.12494298
Monoisotopic Mass414.12494298
Topological Polar Surface Area130 Ų
Heavy Atom Count29
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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