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192227-89-7 | L-Cysteine, N-acetyl-S-[(4-methylphenyl)methyl]-
CAS No: 192227-89-7 Catalog No: AG002FRR MDL No:
Product Description
Catalog Number:
AG002FRR
Chemical Name:
L-Cysteine, N-acetyl-S-[(4-methylphenyl)methyl]-
CAS Number:
192227-89-7
Molecular Formula:
C13H17NO3S
Molecular Weight:
267.3440
IUPAC Name:
(2R)-2-acetamido-3-[(4-methylphenyl)methylsulfanyl]propanoic acid
InChI:
InChI=1S/C13H17NO3S/c1-9-3-5-11(6-4-9)7-18-8-12(13(16)17)14-10(2)15/h3-6,12H,7-8H2,1-2H3,(H,14,15)(H,16,17)/t12-/m0/s1
InChI Key:
GIZNISHGKBUYFW-LBPRGKRZSA-N
SMILES:
CC(=O)N[C@H](C(=O)O)CSCc1ccc(cc1)C
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
267.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
267.343g/mol
Monoisotopic Mass:
267.093g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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