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188907-27-9 | L-Cysteine, N-acetyl-S-(3-oxo-2-phenylpropyl)-
CAS No: 188907-27-9 Catalog No: AG002HI4 MDL No:
Product Description
Catalog Number:
AG002HI4
Chemical Name:
L-Cysteine, N-acetyl-S-(3-oxo-2-phenylpropyl)-
CAS Number:
188907-27-9
Molecular Formula:
C14H17NO4S
Molecular Weight:
295.3541
IUPAC Name:
(2R)-2-acetamido-3-(3-oxo-2-phenylpropyl)sulfanylpropanoic acid
InChI:
InChI=1S/C14H17NO4S/c1-10(17)15-13(14(18)19)9-20-8-12(7-16)11-5-3-2-4-6-11/h2-7,12-13H,8-9H2,1H3,(H,15,17)(H,18,19)/t12?,13-/m0/s1
InChI Key:
QZSMQRWADSCTDY-ABLWVSNPSA-N
SMILES:
O=CC(c1ccccc1)CSC[C@@H](C(=O)O)NC(=O)C
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
295.088g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.353g/mol
Monoisotopic Mass:
295.088g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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