Fmoc-Asp (CSY) -OH

CAT: 0127-OR1005753Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

2379679-90-8

Purity

98%

Smiles

C(OC(N[C@@H](CC([C-]([S+](C)C)C#N)=O)C(O)=O)=O)C1C=2C(C=3C1=CC=CC3)=CC=CC2

Chemical Information

Fmoc-Asp(CSY)-OH

CAS Number	2379679-90-8
PubChem CID	162420800
IUPAC Name	(2S)-5-cyano-5-(dimethyl-lambda4-sulfanylidene)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxopentanoic acid
Molecular Formula	C23H22N2O5S
Molecular Weight	438.5
XLogP	2.6
Topological Polar Surface Area	136
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Heavy Atom Count	31
Formal Charge	0
Complexity	775

SMILES

CS(=C(C#N)C(=O)C[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C

InChI

InChI=1S/C23H22N2O5S/c1-31(2)21(12-24)20(26)11-19(22(27)28)25-23(29)30-13-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,18-19H,11,13H2,1-2H3,(H,25,29)(H,27,28)/t19-/m0/s1

InChIKey

YXUSJCYJWBARIZ-IBGZPJMESA-N

Chemical Structure

2D Structure

CAS: 2379679-90-8

CID: 162420800

Formula: C23H22N2O5S

MW: 438.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	438.5
XLogP3	2.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	438.12494298
Monoisotopic Mass	438.12494298
Topological Polar Surface Area	136 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	775
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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HY-W142115-01	Fmoc-Asp (CSY) -OH
MBS9023050-01	Fmoc-Asp(CSY)-OH
JH919577	Fmoc-L-Asp (CSY) -OH
A23863-250	Fmoc-Asp (CSY) -OH 250mg
BA9461-500000	Fmoc-Asp-OMe
A7361-25000	Fmoc-Asp-OH
BA9462-100000	Fmoc-Asp-Obzl
BA2424-25000	Fmoc-Asp-NH2
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Fmoc-Asp (CSY) -OH

Chemical Information

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