Home Other Building Blocks S-[N-(3-PHENYLPROPYL)(THIOCARBAMOYL)]-L-CYSTEINE

S-[N-(3-PHENYLPROPYL)(THIOCARBAMOYL)]-L-CYSTEINE

CAS No.:
137915-13-0
Catalog Number:
AG009AQW
Molecular Formula:
C13H18N2O2S2
Molecular Weight:
298.4242
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Product Description
Catalog Number:
AG009AQW
Chemical Name:
S-[N-(3-PHENYLPROPYL)(THIOCARBAMOYL)]-L-CYSTEINE
CAS Number:
137915-13-0
Molecular Formula:
C13H18N2O2S2
Molecular Weight:
298.4242
MDL Number:
MFCD00133805
IUPAC Name:
(2R)-2-amino-3-(3-phenylpropylcarbamothioylsulfanyl)propanoic acid
InChI:
InChI=1S/C13H18N2O2S2/c14-11(12(16)17)9-19-13(18)15-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,14H2,(H,15,18)(H,16,17)/t11-/m0/s1
InChI Key:
XMEUXBMTQJJHED-NSHDSACASA-N
SMILES:
NC(C(=O)O)CSC(=S)NCCCc1ccccc1
Properties
Complexity:
294  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
298.081g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
298.419g/mol
Monoisotopic Mass:
298.081g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties