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Home > Nitro Compounds > 2488-18-8
2488-18-8 | L-Methionine, N-[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl ester
CAS No: 2488-18-8 Catalog No: AG002PQI MDL No:MFCD00038123
Product Description
Catalog Number:
AG002PQI
Chemical Name:
L-Methionine, N-[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl ester
CAS Number:
2488-18-8
Molecular Formula:
C16H22N2O6S
Molecular Weight:
370.4207
MDL Number:
MFCD00038123
IUPAC Name:
(4-nitrophenyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate
InChI:
InChI=1S/C16H22N2O6S/c1-16(2,3)24-15(20)17-13(9-10-25-4)14(19)23-12-7-5-11(6-8-12)18(21)22/h5-8,13H,9-10H2,1-4H3,(H,17,20)/t13-/m0/s1
InChI Key:
KSFQSYDCSRCMIR-ZDUSSCGKSA-N
SMILES:
CSCC[C@@H](C(=O)Oc1ccc(cc1)[N+](=O)[O-])NC(=O)OC(C)(C)C
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
370.12g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
370.42g/mol
Monoisotopic Mass:
370.12g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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