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18942-46-6 | L-Cysteine, N-[(1,1-dimethylethoxy)carbonyl]-S-[(4-methoxyphenyl)methyl]-
CAS No: 18942-46-6 Catalog No: AG002DNH MDL No:MFCD00038254
Product Description
Catalog Number:
AG002DNH
Chemical Name:
L-Cysteine, N-[(1,1-dimethylethoxy)carbonyl]-S-[(4-methoxyphenyl)methyl]-
CAS Number:
18942-46-6
Molecular Formula:
C16H23NO5S
Molecular Weight:
341.4225
MDL Number:
MFCD00038254
IUPAC Name:
(2R)-3-[(4-methoxyphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C16H23NO5S/c1-16(2,3)22-15(20)17-13(14(18)19)10-23-9-11-5-7-12(21-4)8-6-11/h5-8,13H,9-10H2,1-4H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChI Key:
VRTXRNJMNFVTOM-ZDUSSCGKSA-N
SMILES:
COc1ccc(cc1)CSC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
EC Number:
242-695-5
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
341.13g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
341.422g/mol
Monoisotopic Mass:
341.13g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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