Home Carboxys (3aR,4R,6S,6aS)-methyl 4-((Z)-2,3-bis(tert-butoxycarbonyl)guanidino)-3-(pentan-3-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-6-carboxylate

(3aR,4R,6S,6aS)-methyl 4-((Z)-2,3-bis(tert-butoxycarbonyl)guanidino)-3-(pentan-3-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-6-carboxylate

CAS No.:
1404223-98-8
Catalog Number:
AG01DGT3
Molecular Formula:
C24H40N4O7
Molecular Weight:
496.5970
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$315
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Product Description
Catalog Number:
AG01DGT3
Chemical Name:
(3aR,4R,6S,6aS)-methyl 4-((Z)-2,3-bis(tert-butoxycarbonyl)guanidino)-3-(pentan-3-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-6-carboxylate
CAS Number:
1404223-98-8
Molecular Formula:
C24H40N4O7
Molecular Weight:
496.5970
MDL Number:
MFCD31803884
IUPAC Name:
methyl (3aR,6aS)-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-3-pentan-3-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-6-carboxylate
InChI:
InChI=1S/C24H40N4O7/c1-10-13(11-2)17-16-15(12-14(19(29)32-9)18(16)35-28-17)25-20(26-21(30)33-23(3,4)5)27-22(31)34-24(6,7)8/h13-16,18H,10-12H2,1-9H3,(H2,25,26,27,30,31)/t14?,15?,16-,18-/m1/s1
InChI Key:
BNDSZEWQWFQBTB-AJTLQJAISA-N
SMILES:
COC(=O)[C@H]1C[C@H]([C@H]2[C@@H]1ON=C2C(CC)CC)N/C(=N/C(=O)OC(C)(C)C)/NC(=O)OC(C)(C)C
Properties
Complexity:
821  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
496.29g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
496.605g/mol
Monoisotopic Mass:
496.29g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Properties