Home Aminos Methyl (2S)-5-[(1E)-(Cbz-amino),(Cbz-imino)methyl]amino-2-Boc-aminopentanoate

Methyl (2S)-5-[(1E)-(Cbz-amino),(Cbz-imino)methyl]amino-2-Boc-aminopentanoate

CAS No.:
899442-96-7
Catalog Number:
AG00IFWE
Molecular Formula:
C28H36N4O8
Molecular Weight:
556.6074
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$438
- +
5g
97%
In Stock USA
United States
$1225
- +
Product Description
Catalog Number:
AG00IFWE
Chemical Name:
Methyl (2S)-5-[(1E)-(Cbz-amino),(Cbz-imino)methyl]amino-2-Boc-aminopentanoate
CAS Number:
899442-96-7
Molecular Formula:
C28H36N4O8
Molecular Weight:
556.6074
MDL Number:
MFCD27578955
IUPAC Name:
methyl (2S)-5-[bis(phenylmethoxycarbonylamino)methylideneamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
InChI:
InChI=1S/C28H36N4O8/c1-28(2,3)40-27(36)30-22(23(33)37-4)16-11-17-29-24(31-25(34)38-18-20-12-7-5-8-13-20)32-26(35)39-19-21-14-9-6-10-15-21/h5-10,12-15,22H,11,16-19H2,1-4H3,(H,30,36)(H2,29,31,32,34,35)/t22-/m0/s1
InChI Key:
VWTXAWRAYLJLRB-QFIPXVFZSA-N
SMILES:
COC(=O)[C@@H](NC(=O)OC(C)(C)C)CCCN/C(=N\C(=O)OCc1ccccc1)/NC(=O)OCc1ccccc1
Properties
Complexity:
808  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
556.253g/mol
Formal Charge:
0
Heavy Atom Count:
40  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
556.616g/mol
Monoisotopic Mass:
556.253g/mol
Rotatable Bond Count:
17  
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3  
Properties