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78665-22-2 | D-Glutamic acid, N-L-alanyl-, 1-(phenylmethyl) ester
CAS No: 78665-22-2 Catalog No: AG005K0F MDL No:
Product Description
Catalog Number:
AG005K0F
Chemical Name:
D-Glutamic acid, N-L-alanyl-, 1-(phenylmethyl) ester
CAS Number:
78665-22-2
Molecular Formula:
C15H19N2O5-
Molecular Weight:
307.3218
IUPAC Name:
(4R)-4-[[(2S)-2-aminopropanoyl]amino]-5-oxo-5-phenylmethoxypentanoate
InChI:
InChI=1S/C15H20N2O5/c1-10(16)14(20)17-12(7-8-13(18)19)15(21)22-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9,16H2,1H3,(H,17,20)(H,18,19)/p-1/t10-,12+/m0/s1
InChI Key:
XVEFHBGWCJHEFF-CMPLNLGQSA-M
SMILES:
C[C@@H](C(=O)N[C@@H](C(=O)OCc1ccccc1)CCC(=O)[O-])N
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
307.129g/mol
Formal Charge:
-1
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
307.326g/mol
Monoisotopic Mass:
307.129g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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