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156143-51-0 | Hexanoic acid, 6,6'-dithiobis[4-amino-, [S-(R*,R*)]-, bis(trifluoroacetate) (9CI)
CAS No: 156143-51-0 Catalog No: AG001OJX MDL No:
Product Description
Catalog Number:
AG001OJX
Chemical Name:
Hexanoic acid, 6,6'-dithiobis[4-amino-, [S-(R*,R*)]-, bis(trifluoroacetate) (9CI)
CAS Number:
156143-51-0
IUPAC Name:
(4S)-4-amino-6-[[(3S)-3-amino-5-carboxypentyl]disulfanyl]hexanoic acid;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C12H24N2O4S2.2C2HF3O2/c13-9(1-3-11(15)16)5-7-19-20-8-6-10(14)2-4-12(17)18;2*3-2(4,5)1(6)7/h9-10H,1-8,13-14H2,(H,15,16)(H,17,18);2*(H,6,7)/t9-,10-;;/m0../s1
InChI Key:
CKSHMZKGAPGQBA-BZDVOYDHSA-N
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
552.103g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
18
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
552.5g/mol
Monoisotopic Mass:
552.103g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
252A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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