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Home > Nitro Compounds > 204582-39-8
204582-39-8 | L-Glutamic acid, N-[(4-nitrophenyl)sulfonyl]-, bis(1,1-dimethylethyl) ester (9CI)
CAS No: 204582-39-8 Catalog No: AG0029KC MDL No:
Product Description
Catalog Number:
AG0029KC
Chemical Name:
L-Glutamic acid, N-[(4-nitrophenyl)sulfonyl]-, bis(1,1-dimethylethyl) ester (9CI)
CAS Number:
204582-39-8
Molecular Formula:
C19H28N2O8S
Molecular Weight:
444.4992
IUPAC Name:
ditert-butyl (2S)-2-[(4-nitrophenyl)sulfonylamino]pentanedioate
InChI:
InChI=1S/C19H28N2O8S/c1-18(2,3)28-16(22)12-11-15(17(23)29-19(4,5)6)20-30(26,27)14-9-7-13(8-10-14)21(24)25/h7-10,15,20H,11-12H2,1-6H3/t15-/m0/s1
InChI Key:
QZEYWCMAPRTCDC-HNNXBMFYSA-N
SMILES:
O=C([C@@H](NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])CCC(=O)OC(C)(C)C)OC(C)(C)C
Properties
Complexity:
718
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
444.157g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
444.499g/mol
Monoisotopic Mass:
444.157g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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