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84489-15-6 | L-Cysteine, N-acetyl-, 2-(4-chlorophenoxy)-2-methylpropanoate (ester)
CAS No: 84489-15-6 Catalog No: AG004S04 MDL No:
Product Description
Catalog Number:
AG004S04
Chemical Name:
L-Cysteine, N-acetyl-, 2-(4-chlorophenoxy)-2-methylpropanoate (ester)
CAS Number:
84489-15-6
Molecular Formula:
C15H18ClNO5S
Molecular Weight:
359.8251
IUPAC Name:
(2R)-2-acetamido-3-[2-(4-chlorophenoxy)-2-methylpropanoyl]sulfanylpropanoic acid
InChI:
InChI=1S/C15H18ClNO5S/c1-9(18)17-12(13(19)20)8-23-14(21)15(2,3)22-11-6-4-10(16)5-7-11/h4-7,12H,8H2,1-3H3,(H,17,18)(H,19,20)/t12-/m0/s1
InChI Key:
CIZGEASWPCDLRX-LBPRGKRZSA-N
SMILES:
O=C(C(Oc1ccc(cc1)Cl)(C)C)SC[C@@H](C(=O)O)NC(=O)C
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
359.059g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
359.821g/mol
Monoisotopic Mass:
359.059g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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