Home Carbonyls D-α-Glutamine, N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl-, phenylmethyl ester

D-α-Glutamine, N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl-, phenylmethyl ester

CAS No.:
18814-49-8
Catalog Number:
AG002GQ2
Molecular Formula:
C20H29N3O6
Molecular Weight:
407.4608
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Product Description
Catalog Number:
AG002GQ2
Chemical Name:
D-α-Glutamine, N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl-, phenylmethyl ester
CAS Number:
18814-49-8
Molecular Formula:
C20H29N3O6
Molecular Weight:
407.4608
MDL Number:
MFCD00235761
IUPAC Name:
benzyl (2R)-5-amino-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-5-oxopentanoate
InChI:
InChI=1S/C20H29N3O6/c1-13(22-19(27)29-20(2,3)4)17(25)23-15(10-11-16(21)24)18(26)28-12-14-8-6-5-7-9-14/h5-9,13,15H,10-12H2,1-4H3,(H2,21,24)(H,22,27)(H,23,25)/t13-,15+/m0/s1
InChI Key:
GNNHDHBJACNYCR-DZGCQCFKSA-N
SMILES:
O=C(CC[C@H](C(=O)N)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C)OCc1ccccc1
Properties
Complexity:
581  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
407.206g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
407.467g/mol
Monoisotopic Mass:
407.206g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties