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576-19-2

576-19-2 | L-Lysine,N6-[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]-

CAS No: 576-19-2 Catalog No: AG00IA9B MDL No:MFCD00077319

Product Description

Catalog Number:
AG00IA9B
Chemical Name:
L-Lysine,N6-[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]-
CAS Number:
576-19-2
Molecular Formula:
C16H28N4O4S
Molecular Weight:
372.4829
MDL Number:
MFCD00077319
IUPAC Name:
(2S)-6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-aminohexanoic acid
InChI:
InChI=1S/C16H28N4O4S/c17-10(15(22)23)5-3-4-8-18-13(21)7-2-1-6-12-14-11(9-25-12)19-16(24)20-14/h10-12,14H,1-9,17H2,(H,18,21)(H,22,23)(H2,19,20,24)/t10-,11-,12-,14-/m0/s1
InChI Key:
BAQMYDQNMFBZNA-MNXVOIDGSA-N
SMILES:
O=C(NCCCC[C@@H](C(=O)O)N)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2
UNII:
G6D6147J22

Properties

Complexity:
491  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
372.183g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
372.484g/mol
Monoisotopic Mass:
372.183g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
159A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4  

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