Home Sulfos (S)-2-(3-(1-(tert-butylsulfonylMethyl)cyclohexyl)ureido)-3,3-diMethylbutanoic acid

(S)-2-(3-(1-(tert-butylsulfonylMethyl)cyclohexyl)ureido)-3,3-diMethylbutanoic acid

CAS No.:
1208245-85-5
Catalog Number:
AG008T9T
Molecular Formula:
C18H34N2O5S
Molecular Weight:
390.5380
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Product Description
Catalog Number:
AG008T9T
Chemical Name:
(S)-2-(3-(1-(tert-butylsulfonylMethyl)cyclohexyl)ureido)-3,3-diMethylbutanoic acid
CAS Number:
1208245-85-5
Molecular Formula:
C18H34N2O5S
Molecular Weight:
390.5380
MDL Number:
MFCD22124664
IUPAC Name:
(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoic acid
InChI:
InChI=1S/C18H34N2O5S/c1-16(2,3)13(14(21)22)19-15(23)20-18(10-8-7-9-11-18)12-26(24,25)17(4,5)6/h13H,7-12H2,1-6H3,(H,21,22)(H2,19,20,23)/t13-/m1/s1
InChI Key:
UEGWAUDFQVIERH-CYBMUJFWSA-N
SMILES:
O=C(NC1(CCCCC1)CS(=O)(=O)C(C)(C)C)N[C@@H](C(C)(C)C)C(=O)O
Properties
Complexity:
617  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
390.219g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
390.539g/mol
Monoisotopic Mass:
390.219g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties