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Home > Nitro Compounds > 1798902-83-6
1798902-83-6 | S-(5-Nitro-2-benzyloxy)phenyl-N-tert-butyloxycarbonyl-L-cysteineMethylEster
CAS No: 1798902-83-6 Catalog No: AG01E3CA MDL No:
Product Description
Catalog Number:
AG01E3CA
Chemical Name:
S-(5-Nitro-2-benzyloxy)phenyl-N-tert-butyloxycarbonyl-L-cysteineMethylEster
CAS Number:
1798902-83-6
IUPAC Name:
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-nitro-2-phenylmethoxyphenyl)sulfanylpropanoate
InChI:
InChI=1S/C22H26N2O7S/c1-22(2,3)31-21(26)23-17(20(25)29-4)14-32-19-12-16(24(27)28)10-11-18(19)30-13-15-8-6-5-7-9-15/h5-12,17H,13-14H2,1-4H3,(H,23,26)/t17-/m0/s1
InChI Key:
BOGBUGQXHVYZGM-KRWDZBQOSA-N
Properties
Complexity:
629
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
462.146g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
462.517g/mol
Monoisotopic Mass:
462.146g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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