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202071-82-7 | 5,6-Dithia-2,10,12-triazaheptadecanamide, 3,9,11-trioxo-N-pentyl-
CAS No: 202071-82-7 Catalog No: AG002816 MDL No:
Product Description
Catalog Number:
AG002816
Chemical Name:
5,6-Dithia-2,10,12-triazaheptadecanamide, 3,9,11-trioxo-N-pentyl-
CAS Number:
202071-82-7
Molecular Formula:
C17H32N4O4S2
Molecular Weight:
420.5904
IUPAC Name:
3-[[2-oxo-2-(pentylcarbamoylamino)ethyl]disulfanyl]-N-(pentylcarbamoyl)propanamide
InChI:
InChI=1S/C17H32N4O4S2/c1-3-5-7-10-18-16(24)20-14(22)9-12-26-27-13-15(23)21-17(25)19-11-8-6-4-2/h3-13H2,1-2H3,(H2,18,20,22,24)(H2,19,21,23,25)
InChI Key:
LZKHZASMZLPCHS-UHFFFAOYSA-N
SMILES:
CCCCCNC(=O)NC(=O)CCSSCC(=O)NC(=O)NCCCCC
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.186g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
420.587g/mol
Monoisotopic Mass:
420.186g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
167A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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