Home Carboxys (2S,4S)-tert-butyl 4-(acetylthio)-2-((tert-butoxycarbonyl(sulfaMoyl)aMino)Methyl)pyrrolidine-1-carboxylate

(2S,4S)-tert-butyl 4-(acetylthio)-2-((tert-butoxycarbonyl(sulfaMoyl)aMino)Methyl)pyrrolidine-1-carboxylate

CAS No.:
148017-43-0
Catalog Number:
AG00ABFL
Molecular Formula:
C17H31N3O7S2
Molecular Weight:
453.5739
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Product Description
Catalog Number:
AG00ABFL
Chemical Name:
(2S,4S)-tert-butyl 4-(acetylthio)-2-((tert-butoxycarbonyl(sulfaMoyl)aMino)Methyl)pyrrolidine-1-carboxylate
CAS Number:
148017-43-0
Molecular Formula:
C17H31N3O7S2
Molecular Weight:
453.5739
MDL Number:
MFCD18642752
IUPAC Name:
tert-butyl (2S,4S)-4-acetylsulfanyl-2-[[(2-methylpropan-2-yl)oxycarbonyl-sulfamoylamino]methyl]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C17H31N3O7S2/c1-11(21)28-13-8-12(19(10-13)14(22)26-16(2,3)4)9-20(29(18,24)25)15(23)27-17(5,6)7/h12-13H,8-10H2,1-7H3,(H2,18,24,25)/t12-,13-/m0/s1
InChI Key:
KNRUKLCMHGCYRP-STQMWFEESA-N
SMILES:
CC(=O)S[C@@H]1CN([C@@H](C1)CN(S(=O)(=O)N)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Properties
Complexity:
736  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
453.16g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
453.569g/mol
Monoisotopic Mass:
453.16g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
170A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties