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88170-81-4 | L-Phenylalanine, 4-(butyldithio)-N-[(1,1-dimethylethoxy)carbonyl]-
CAS No: 88170-81-4 Catalog No: AG004DT8 MDL No:
Product Description
Catalog Number:
AG004DT8
Chemical Name:
L-Phenylalanine, 4-(butyldithio)-N-[(1,1-dimethylethoxy)carbonyl]-
CAS Number:
88170-81-4
Molecular Formula:
C18H27NO4S2
Molecular Weight:
385.5413
IUPAC Name:
(2S)-3-[4-(butyldisulfanyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C18H27NO4S2/c1-5-6-11-24-25-14-9-7-13(8-10-14)12-15(16(20)21)19-17(22)23-18(2,3)4/h7-10,15H,5-6,11-12H2,1-4H3,(H,19,22)(H,20,21)/t15-/m0/s1
InChI Key:
HVYLRFLSUZONDP-HNNXBMFYSA-N
SMILES:
CCCCSSc1ccc(cc1)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
385.138g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
385.537g/mol
Monoisotopic Mass:
385.138g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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