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88641-39-8 | L-Alanine, 3-[[2-[(3-aminopropyl)amino]ethyl]dithio]-
CAS No: 88641-39-8 Catalog No: AG0049E2 MDL No:
Product Description
Catalog Number:
AG0049E2
Chemical Name:
L-Alanine, 3-[[2-[(3-aminopropyl)amino]ethyl]dithio]-
CAS Number:
88641-39-8
Molecular Formula:
C8H19N3O2S2
Molecular Weight:
253.3854
IUPAC Name:
2-amino-3-[2-(3-aminopropylamino)ethyldisulfanyl]propanoic acid
InChI:
InChI=1S/C8H19N3O2S2/c9-2-1-3-11-4-5-14-15-6-7(10)8(12)13/h7,11H,1-6,9-10H2,(H,12,13)
InChI Key:
RWDJPFKKKSZARM-UHFFFAOYSA-N
SMILES:
NCCCNCCSSC[C@@H](C(=O)O)N
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.092g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
253.379g/mol
Monoisotopic Mass:
253.092g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.7
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