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102516-58-5 | L-Cysteine, N-acetyl-S-(2-chloro-2-methylpropyl)-, methyl ester
CAS No: 102516-58-5 Catalog No: AG0007MV MDL No:
Product Description
Catalog Number:
AG0007MV
Chemical Name:
L-Cysteine, N-acetyl-S-(2-chloro-2-methylpropyl)-, methyl ester
CAS Number:
102516-58-5
Molecular Formula:
C10H18ClNO3S
Molecular Weight:
267.7728
IUPAC Name:
methyl 2-acetamido-3-(2-chloro-2-methylpropyl)sulfanylpropanoate
InChI:
InChI=1S/C10H18ClNO3S/c1-7(13)12-8(9(14)15-4)5-16-6-10(2,3)11/h8H,5-6H2,1-4H3,(H,12,13)
InChI Key:
DWACJOIQJASOHA-UHFFFAOYSA-N
SMILES:
COC(=O)[C@@H](NC(=O)C)CSCC(Cl)(C)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.07g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.768g/mol
Monoisotopic Mass:
267.07g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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