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119485-79-9 | L-Cysteine, S-[1-methyl-1-[(4R)-4-methyl-2-oxocyclohexyl]ethyl]-
CAS No: 119485-79-9 Catalog No: AG000IUU MDL No:
Product Description
Catalog Number:
AG000IUU
Chemical Name:
L-Cysteine, S-[1-methyl-1-[(4R)-4-methyl-2-oxocyclohexyl]ethyl]-
CAS Number:
119485-79-9
Molecular Formula:
C13H23NO3S
Molecular Weight:
273.3916
IUPAC Name:
2-amino-3-[2-(4-methyl-2-oxocyclohexyl)propan-2-ylsulfanyl]propanoic acid
InChI:
InChI=1S/C13H23NO3S/c1-8-4-5-9(11(15)6-8)13(2,3)18-7-10(14)12(16)17/h8-10H,4-7,14H2,1-3H3,(H,16,17)
InChI Key:
PKCVIKBWZWQGSL-UHFFFAOYSA-N
SMILES:
C[C@@H]1CCC(C(=O)C1)C(SC[C@@H](C(=O)O)N)(C)C
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.14g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.391g/mol
Monoisotopic Mass:
273.14g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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