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Fmoc-D-Cys (Phacm) -OH

CAT: 0926-FF145432-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-FF145432-01Size:50 mg
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CAS Number
1565818-55-4
Smiles
C1=CC=C (C=C1) CC (=O) NCSC[C@H] (C (=O) O) NC (=O) OCC2C3=CC=CC=C3C4=CC=CC=C24
Molecular Formula
C27H26N2O5S
Molecular Weight
490.57 g/mol
Controlled
No

Chemical Information

N-(((9H-Fluoren-9-yl)methoxy)carbonyl)-S-((2-phenylacetamido)methyl)-D-cysteine

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CAS Number1565818-55-4
PubChem CID71463942
IUPAC Name(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[[(2-phenylacetyl)amino]methylsulfanyl]propanoic acid
Molecular FormulaC27H26N2O5S
Molecular Weight490.6
XLogP4.3
Topological Polar Surface Area130
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count35
Formal Charge0
Complexity706
SMILES
C1=CC=C(C=C1)CC(=O)NCSC[C@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C27H26N2O5S/c30-25(14-18-8-2-1-3-9-18)28-17-35-16-24(26(31)32)29-27(33)34-15-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,23-24H,14-17H2,(H,28,30)(H,29,33)(H,31,32)/t24-/m1/s1
InChIKey
UBFAZPXACZPNQB-XMMPIXPASA-N
Chemical Structure
2D Structure
2D structure of N-(((9H-Fluoren-9-yl)methoxy)carbonyl)-S-((2-phenylacetamido)methyl)-D-cysteine
CAS: 1565818-55-4
CID: 71463942
Formula: C27H26N2O5S
MW: 490.6
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight490.6
XLogP34.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass490.15624311
Monoisotopic Mass490.15624311
Topological Polar Surface Area130 Ų
Heavy Atom Count35
Formal Charge0
Complexity706
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