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182194-38-3 | L-Glutamic acid, N-[(benzoylthio)acetyl]-, 1-methyl ester (9CI)
CAS No: 182194-38-3 Catalog No: AG0023GC MDL No:
Product Description
Catalog Number:
AG0023GC
Chemical Name:
L-Glutamic acid, N-[(benzoylthio)acetyl]-, 1-methyl ester (9CI)
CAS Number:
182194-38-3
Molecular Formula:
C15H16NO6S-
Molecular Weight:
338.3556
IUPAC Name:
(4S)-4-[(2-benzoylsulfanylacetyl)amino]-5-methoxy-5-oxopentanoate
InChI:
InChI=1S/C15H17NO6S/c1-22-14(20)11(7-8-13(18)19)16-12(17)9-23-15(21)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,16,17)(H,18,19)/p-1/t11-/m0/s1
InChI Key:
ICQNPMGMWXHVOV-NSHDSACASA-M
SMILES:
COC(=O)[C@@H](NC(=O)CSC(=O)c1ccccc1)CCC(=O)[O-]
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
338.07g/mol
Formal Charge:
-1
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.354g/mol
Monoisotopic Mass:
338.07g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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