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13833-89-1 | D-Valine, N-formyl-3-mercapto-
CAS No: 13833-89-1 Catalog No: AG0018KT MDL No:
Product Description
Catalog Number:
AG0018KT
Chemical Name:
D-Valine, N-formyl-3-mercapto-
CAS Number:
13833-89-1
Molecular Formula:
C6H11NO3S
Molecular Weight:
177.2214
IUPAC Name:
(2S)-2-formamido-3-methyl-3-sulfanylbutanoic acid
InChI:
InChI=1S/C6H11NO3S/c1-6(2,11)4(5(9)10)7-3-8/h3-4,11H,1-2H3,(H,7,8)(H,9,10)/t4-/m0/s1
InChI Key:
ANCLDHSEMKEXLS-BYPYZUCNSA-N
SMILES:
O=CN[C@H](C(S)(C)C)C(=O)O
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
177.046g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
177.218g/mol
Monoisotopic Mass:
177.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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