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158822-71-0 | L-Cysteine, N-acetyl-S-(tetrahydro-5-oxo-2-pentyl-3-furanyl)-
CAS No: 158822-71-0 Catalog No: AG001QW2 MDL No:
Product Description
Catalog Number:
AG001QW2
Chemical Name:
L-Cysteine, N-acetyl-S-(tetrahydro-5-oxo-2-pentyl-3-furanyl)-
CAS Number:
158822-71-0
Molecular Formula:
C14H23NO5S
Molecular Weight:
317.4011
IUPAC Name:
(2R)-2-acetamido-3-(5-oxo-2-pentyloxolan-3-yl)sulfanylpropanoic acid
InChI:
InChI=1S/C14H23NO5S/c1-3-4-5-6-11-12(7-13(17)20-11)21-8-10(14(18)19)15-9(2)16/h10-12H,3-8H2,1-2H3,(H,15,16)(H,18,19)/t10-,11?,12?/m0/s1
InChI Key:
XHJGEONULAHMQH-UNXYVOJBSA-N
SMILES:
CCCCCC1OC(=O)CC1SC[C@@H](C(=O)O)NC(=O)C
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
317.13g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
317.4g/mol
Monoisotopic Mass:
317.13g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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