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161512-71-6 | D-Cysteine, N-acetyl-S-(phenylmethyl)-
CAS No: 161512-71-6 Catalog No: AG001VN0 MDL No:MFCD00070565
Product Description
Catalog Number:
AG001VN0
Chemical Name:
D-Cysteine, N-acetyl-S-(phenylmethyl)-
CAS Number:
161512-71-6
Molecular Formula:
C12H15NO3S
Molecular Weight:
253.3174
MDL Number:
MFCD00070565
IUPAC Name:
(2S)-2-acetamido-3-benzylsulfanylpropanoic acid
InChI:
InChI=1S/C12H15NO3S/c1-9(14)13-11(12(15)16)8-17-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16)/t11-/m1/s1
InChI Key:
BJUXDERNWYKSIQ-LLVKDONJSA-N
SMILES:
CC(=O)N[C@@H](C(=O)O)CSCc1ccccc1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
253.077g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.316g/mol
Monoisotopic Mass:
253.077g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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