Home Aminos Methyl (2S,3S)-2-[(diphenylmethylidene)amino]-4,4,4-trifluoro-3-{[(S)-2-methylpropane-2-sulfinyl]amino}butanoate

Methyl (2S,3S)-2-[(diphenylmethylidene)amino]-4,4,4-trifluoro-3-{[(S)-2-methylpropane-2-sulfinyl]amino}butanoate

CAS No.:
1580519-74-9
Catalog Number:
AG01F2JG
Molecular Formula:
C22H25F3N2O3S
Molecular Weight:
454.5057
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
1 week
United States
$316
- +
250mg
1 week
United States
$594
- +
Product Description
Catalog Number:
AG01F2JG
Chemical Name:
Methyl (2S,3S)-2-[(diphenylmethylidene)amino]-4,4,4-trifluoro-3-{[(S)-2-methylpropane-2-sulfinyl]amino}butanoate
CAS Number:
1580519-74-9
Molecular Formula:
C22H25F3N2O3S
Molecular Weight:
454.5057
MDL Number:
MFCD28369631
IUPAC Name:
methyl (2S,3S)-2-(benzhydrylideneamino)-3-(tert-butylsulfinylamino)-4,4,4-trifluorobutanoate
InChI:
InChI=1S/C22H25F3N2O3S/c1-21(2,3)31(29)27-19(22(23,24)25)18(20(28)30-4)26-17(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,18-19,27H,1-4H3/t18-,19-,31?/m0/s1
InChI Key:
VZBDVWPFOIUBOS-SUVMZSKXSA-N
SMILES:
COC(=O)[C@H]([C@@H](C(F)(F)F)N[S@@](=O)C(C)(C)C)N=C(c1ccccc1)c1ccccc1
Properties
Complexity:
629  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
454.154g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
454.508g/mol
Monoisotopic Mass:
454.154g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1  
Properties