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89767-54-4 | Glycine, N-[2-[[2-(acetyloxy)benzoyl]thio]-1-oxopropyl]-
CAS No: 89767-54-4 Catalog No: AG00402S MDL No:
Product Description
Catalog Number:
AG00402S
Chemical Name:
Glycine, N-[2-[[2-(acetyloxy)benzoyl]thio]-1-oxopropyl]-
CAS Number:
89767-54-4
Molecular Formula:
C14H15NO6S
Molecular Weight:
325.3370
IUPAC Name:
2-[2-(2-acetyloxybenzoyl)sulfanylpropanoylamino]acetic acid
InChI:
InChI=1S/C14H15NO6S/c1-8(13(19)15-7-12(17)18)22-14(20)10-5-3-4-6-11(10)21-9(2)16/h3-6,8H,7H2,1-2H3,(H,15,19)(H,17,18)
InChI Key:
VUGJDPNNEGXAJG-UHFFFAOYSA-N
SMILES:
OC(=O)CNC(=O)C(SC(=O)c1ccccc1OC(=O)C)C
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.062g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
325.335g/mol
Monoisotopic Mass:
325.062g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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