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756525-97-0 | 4,7,10,13-Tetraoxa-16-azaheneicosanoic acid,21-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-17-oxo-, hydrazide
CAS No: 756525-97-0 Catalog No: AG00IMED MDL No:MFCD09952658
Product Description
Catalog Number:
AG00IMED
Chemical Name:
4,7,10,13-Tetraoxa-16-azaheneicosanoic acid,21-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-17-oxo-, hydrazide
CAS Number:
756525-97-0
Molecular Formula:
C21H39N5O7S
Molecular Weight:
505.6287
MDL Number:
MFCD09952658
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-(3-hydrazinyl-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]pentanamide
InChI:
InChI=1S/C21H39N5O7S/c22-26-19(28)5-7-30-9-11-32-13-14-33-12-10-31-8-6-23-18(27)4-2-1-3-17-20-16(15-34-17)24-21(29)25-20/h16-17,20H,1-15,22H2,(H,23,27)(H,26,28)(H2,24,25,29)/t16-,17-,20-/m0/s1
InChI Key:
PSBJJOWIACLJAQ-ZWOKBUDYSA-N
SMILES:
NNC(=O)CCOCCOCCOCCOCCNC(=O)CCCCC1SCC2C1NC(=O)N2
Properties
Complexity:
616
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
505.257g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
505.631g/mol
Monoisotopic Mass:
505.257g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
188A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
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