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205985-65-5 | L-Threonine, L-cysteinyl-
CAS No: 205985-65-5 Catalog No: AG002AG3 MDL No:
Product Description
Catalog Number:
AG002AG3
Chemical Name:
L-Threonine, L-cysteinyl-
CAS Number:
205985-65-5
Molecular Formula:
C7H14N2O4S
Molecular Weight:
222.2621
IUPAC Name:
(2S,3R)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-hydroxybutanoic acid
InChI:
InChI=1S/C7H14N2O4S/c1-3(10)5(7(12)13)9-6(11)4(8)2-14/h3-5,10,14H,2,8H2,1H3,(H,9,11)(H,12,13)/t3-,4+,5+/m1/s1
InChI Key:
WYVKPHCYMTWUCW-WISUUJSJSA-N
SMILES:
SC[C@@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)N
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
222.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
222.259g/mol
Monoisotopic Mass:
222.067g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.9
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