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128915-82-2 | 1H-Thieno[3,4-d]imidazole-4-pentanamide, N-[2-[(2-aminoethyl)dithio]ethyl]hexahydro-2-oxo-, (3aS,4S,6aR)-
CAS No: 128915-82-2 Catalog No: AG000YIR MDL No:
Product Description
Catalog Number:
AG000YIR
Chemical Name:
1H-Thieno[3,4-d]imidazole-4-pentanamide, N-[2-[(2-aminoethyl)dithio]ethyl]hexahydro-2-oxo-, (3aS,4S,6aR)-
CAS Number:
128915-82-2
Molecular Formula:
C14H26N4O2S3
Molecular Weight:
378.5768
IUPAC Name:
N-[2-(2-aminoethyldisulfanyl)ethyl]-5-[(4S)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanamide
InChI:
InChI=1S/C14H26N4O2S3/c15-5-7-22-23-8-6-16-12(19)4-2-1-3-11-13-10(9-21-11)17-14(20)18-13/h10-11,13H,1-9,15H2,(H,16,19)(H2,17,18,20)/t10?,11-,13?/m0/s1
InChI Key:
MFDWNMKIWHKJOW-AKJDGMEZSA-N
SMILES:
NCCSSCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
378.122g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
378.568g/mol
Monoisotopic Mass:
378.122g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
172A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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