Home Carbonyls N-[N-[(1,1-Dimethylethoxy)carbonyl]-L-alanyl]-D-glutamic acid 5-(phenylmethyl) ester

N-[N-[(1,1-Dimethylethoxy)carbonyl]-L-alanyl]-D-glutamic acid 5-(phenylmethyl) ester

CAS No.:
53759-36-7
Catalog Number:
AG00DJO6
Molecular Formula:
C20H28N2O7
Molecular Weight:
408.4455
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Product Description
Catalog Number:
AG00DJO6
Chemical Name:
N-[N-[(1,1-Dimethylethoxy)carbonyl]-L-alanyl]-D-glutamic acid 5-(phenylmethyl) ester
CAS Number:
53759-36-7
Molecular Formula:
C20H28N2O7
Molecular Weight:
408.4455
MDL Number:
MFCD28978616
IUPAC Name:
(2R)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-5-oxo-5-phenylmethoxypentanoic acid
InChI:
InChI=1S/C20H28N2O7/c1-13(21-19(27)29-20(2,3)4)17(24)22-15(18(25)26)10-11-16(23)28-12-14-8-6-5-7-9-14/h5-9,13,15H,10-12H2,1-4H3,(H,21,27)(H,22,24)(H,25,26)/t13-,15+/m0/s1
InChI Key:
OZFKECLMHVFMHE-DZGCQCFKSA-N
SMILES:
O=C(CC[C@H](C(=O)O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C)OCc1ccccc1
Properties
Complexity:
580  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
408.19g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
408.451g/mol
Monoisotopic Mass:
408.19g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties