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1025796-31-9,MFCD28898592
Catalog No.:AA0007PY
1025796-31-9 | (S)-Di-tert-butyl 2-(3-((s)-6-amino-1-(tert-butoxy)-1-oxohexan-2-yl)ureido)pentanedioate
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250mg
95%
1 week  
$696.00   $487.00
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Technical Information
Catalog Number:
AA0007PY
Chemical Name:
(S)-Di-tert-butyl 2-(3-((s)-6-amino-1-(tert-butoxy)-1-oxohexan-2-yl)ureido)pentanedioate
CAS Number:
1025796-31-9
Molecular Formula:
C24H45N3O7
Molecular Weight:
487.6300
MDL Number:
MFCD28898592
IUPAC Name:
ditert-butyl (2S)-2-[[(2S)-6-amino-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate
InChI:
InChI=1S/C24H45N3O7/c1-22(2,3)32-18(28)14-13-17(20(30)34-24(7,8)9)27-21(31)26-16(12-10-11-15-25)19(29)33-23(4,5)6/h16-17H,10-15,25H2,1-9H3,(H2,26,27,31)/t16-,17-/m0/s1
InChI Key:
IXWXFSGSTGXUFO-IRXDYDNUSA-N
SMILES:
NCCCC[C@@H](C(=O)OC(C)(C)C)NC(=O)N[C@H](C(=O)OC(C)(C)C)CCC(=O)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
688  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
487.326g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
487.638g/mol
Monoisotopic Mass:
487.326g/mol
Rotatable Bond Count:
17  
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Synonyms
 
(S)-di-tert-butyl 2-(3-((S)-6-amino-1-(tert-butoxy)-1-oxohexan-2-yl)ureido)pentanedioate 
1025796-31-9 
AS-54956 
CS-0047390 
(5)-di-tert-butyl 2-(3-((S)-6-amino-1-(tert-butoxy)-1-oxohexan-2-yl)ureido)pentanedioate 
(5)-di-tert-butyl 2-(3-((S)-6-amino-1-tert-butoxy-1-oxohexan-2-yl)ureido)pentanedioate 
(s)-di-t-butyl 2-(3-((s)-6-amino-1-(t-butoxy)-1-oxohexan-2-yl)ureido)pentanedioate 
(S)-di-tert-butyl 2-(3-((S)-6-amino-1-tert-butoxy-1-oxohexan-2-yl)ureido)pentanedioate 
SCHEMBL563754 
SCHEMBL14079858 
KS-00001BCD 
IXWXFSGSTGXUFO-IRXDYDNUSA-N 
MFCD28898592 
ZINC59044433 
AKOS027255898 
Literature
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