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Gw311616

CAS No.:
198062-54-3
Catalog Number:
AG00ABKA
Molecular Formula:
C19H31N3O4S
Molecular Weight:
397.5321
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$640
- +
10mg
99%
1 week
United States
$890
- +
50mg
99%
1 week
United States
$2557
- +
100mg
99%
1 week
United States
$3557
- +
Product Description
Catalog Number:
AG00ABKA
Chemical Name:
Gw311616
CAS Number:
198062-54-3
Molecular Formula:
C19H31N3O4S
Molecular Weight:
397.5321
MDL Number:
MFCD28168015
IUPAC Name:
(3aR,6S,6aS)-4-methylsulfonyl-1-[(E)-4-piperidin-1-ylbut-2-enoyl]-6-propan-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
InChI:
InChI=1S/C19H31N3O4S/c1-14(2)17-18-15(22(19(17)24)27(3,25)26)9-13-21(18)16(23)8-7-12-20-10-5-4-6-11-20/h7-8,14-15,17-18H,4-6,9-13H2,1-3H3/b8-7+/t15-,17+,18-/m1/s1
InChI Key:
NDNKNUMSTIMSHQ-URZKGLGPSA-N
SMILES:
CC([C@H]1[C@@H]2N(CC[C@H]2N(C1=O)S(=O)(=O)C)C(=O)/C=C/CN1CCCCC1)C
UNII:
L8012V52PN
Properties
Complexity:
707  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
1  
Exact Mass:
397.204g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
397.534g/mol
Monoisotopic Mass:
397.204g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Achillea millefolium L. s.l. -- is the anti-inflammatory activity mediated by protease inhibition? Journal of ethnopharmacology 20070905
Acylating agents as enzyme inhibitors and understanding their reactivity for drug design. Journal of medicinal chemistry 20020620
The discovery of a potent, intracellular, orally bioavailable, long duration inhibitor of human neutrophil elastase--GW311616A a development candidate. Bioorganic & medicinal chemistry letters 20010409
Properties