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1163732-89-5 | 1H-Thieno[3,4-d]imidazole-4-pentanamide, N-(17-azido-3,6,9,12,15-pentaoxaheptadec-1-yl)hexahydro-2-oxo-, (3aS,4S,6aR)-
CAS No: 1163732-89-5 Catalog No: AG000CC1 MDL No:
Product Description
Catalog Number:
AG000CC1
Chemical Name:
1H-Thieno[3,4-d]imidazole-4-pentanamide, N-(17-azido-3,6,9,12,15-pentaoxaheptadec-1-yl)hexahydro-2-oxo-, (3aS,4S,6aR)-
CAS Number:
1163732-89-5
Molecular Formula:
C22H40N6O7S
Molecular Weight:
532.6540
IUPAC Name:
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
InChI:
InChI=1S/C22H40N6O7S/c23-28-25-6-8-32-10-12-34-14-16-35-15-13-33-11-9-31-7-5-24-20(29)4-2-1-3-19-21-18(17-36-19)26-22(30)27-21/h18-19,21H,1-17H2,(H,24,29)(H2,26,27,30)/t18-,19-,21-/m0/s1
InChI Key:
MKXKDMBFPMTVAW-ZJOUEHCJSA-N
SMILES:
[N-]=[N+]=NCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2
Properties
Complexity:
671
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
532.268g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
532.657g/mol
Monoisotopic Mass:
532.268g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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