Home Carbonyls (E,Z)-2-(2-Benzyloxycarbonylamino-4-thiazol)-4-(3-methyl-2-butenyloxycarbonyl)-2-butenoic acid

(E,Z)-2-(2-Benzyloxycarbonylamino-4-thiazol)-4-(3-methyl-2-butenyloxycarbonyl)-2-butenoic acid

CAS No.:
115065-79-7
Catalog Number:
AG000FV5
Molecular Formula:
C21H21N2O6S-
Molecular Weight:
429.4662
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Product Description
Catalog Number:
AG000FV5
Chemical Name:
(E,Z)-2-(2-Benzyloxycarbonylamino-4-thiazol)-4-(3-methyl-2-butenyloxycarbonyl)-2-butenoic acid
CAS Number:
115065-79-7
Molecular Formula:
C21H21N2O6S-
Molecular Weight:
429.4662
MDL Number:
MFCD09750993
IUPAC Name:
(E)-5-(3-methylbut-2-enoxy)-5-oxo-2-[2-(phenylmethoxycarbonylamino)-1,3-thiazol-4-yl]pent-2-enoic acid
InChI:
InChI=1S/C21H22N2O6S/c1-14(2)10-11-28-18(24)9-8-16(19(25)26)17-13-30-20(22-17)23-21(27)29-12-15-6-4-3-5-7-15/h3-8,10,13H,9,11-12H2,1-2H3,(H,25,26)(H,22,23,27)/b16-8+
InChI Key:
QSJNRPJXKFDFPH-LZYBPNLTSA-N
SMILES:
[O-]C(=O)C(=CCC(=O)OCC=C(C)C)c1csc(n1)NC(=O)OCc1ccccc1
EC Number:
601-343-4
Properties
Complexity:
668  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
430.12g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
430.475g/mol
Monoisotopic Mass:
430.12g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties