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13139-52-1 | D-Glutamine, N2-[(phenylmethoxy)carbonyl]-
CAS No: 13139-52-1 Catalog No: AG000W3C MDL No:MFCD00065698
Product Description
Catalog Number:
AG000W3C
Chemical Name:
D-Glutamine, N2-[(phenylmethoxy)carbonyl]-
CAS Number:
13139-52-1
Molecular Formula:
C13H16N2O5
Molecular Weight:
280.2765
MDL Number:
MFCD00065698
IUPAC Name:
(2R)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid
InChI:
InChI=1S/C13H16N2O5/c14-11(16)7-6-10(12(17)18)15-13(19)20-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,19)(H,17,18)/t10-/m1/s1
InChI Key:
JIMLDJNLXLMGLX-SNVBAGLBSA-N
SMILES:
O=C(N[C@@H](C(=O)O)CCC(=O)N)OCc1ccccc1
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
280.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
280.28g/mol
Monoisotopic Mass:
280.106g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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