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88719-99-7

88719-99-7 | Glycine, N-[3-(acetylthio)-2-methyl-1-oxopropyl]-N-(diphenylmethyl)-

CAS No: 88719-99-7 Catalog No: AG0046NC MDL No:

Product Description

Catalog Number:
AG0046NC
Chemical Name:
Glycine, N-[3-(acetylthio)-2-methyl-1-oxopropyl]-N-(diphenylmethyl)-
CAS Number:
88719-99-7
Molecular Formula:
C21H23NO4S
Molecular Weight:
385.4766
IUPAC Name:
2-[(3-acetylsulfanyl-2-methylpropanoyl)-benzhydrylamino]acetic acid
InChI:
InChI=1S/C21H23NO4S/c1-15(14-27-16(2)23)21(26)22(13-19(24)25)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15,20H,13-14H2,1-2H3,(H,24,25)
InChI Key:
TWBZBZHVAWEUPD-UHFFFAOYSA-N
SMILES:
OC(=O)CN(C(=O)C(CSC(=O)C)C)C(c1ccccc1)c1ccccc1

Properties

Complexity:
494  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.135g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
385.478g/mol
Monoisotopic Mass:
385.135g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

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