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131404-69-8 | L-Cysteine, S-[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]-
CAS No: 131404-69-8 Catalog No: AG000W49 MDL No:
Product Description
Catalog Number:
AG000W49
Chemical Name:
L-Cysteine, S-[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]-
CAS Number:
131404-69-8
Molecular Formula:
C23H39NO2S
Molecular Weight:
393.6263
IUPAC Name:
(2R)-2-amino-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanylpropanoic acid
InChI:
InChI=1S/C23H39NO2S/c1-18(2)9-6-10-19(3)11-7-12-20(4)13-8-14-21(5)15-16-27-17-22(24)23(25)26/h9,11,13,15,22H,6-8,10,12,14,16-17,24H2,1-5H3,(H,25,26)/b19-11+,20-13+,21-15+/t22-/m0/s1
InChI Key:
ZVHYBHXYDZELLD-REPDADMKSA-N
SMILES:
C/C(=C\CC/C(=C/CSC[C@@H](C(=O)O)N)/C)/CC/C=C(/CCC=C(C)C)\C
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
3
Exact Mass:
393.27g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
393.63g/mol
Monoisotopic Mass:
393.27g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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