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Synopsis

Synopsis

ACTIVE PHARMA INGREDIENTS

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3 RELATED EXCIPIENT COMPANIES

3EXCIPIENTS BY APPLICATIONS

Chemistry

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Also known as:
Molecular Formula
C15H13F3N2O5
Molecular Weight
358.27  g/mol
InChI Key
KGZJCDGDEWBTKI-UHFFFAOYSA-N

L-Alfa-Glu-Afc
1 2D Structure

L-Alfa-Glu-Afc

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-amino-5-oxo-5-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]pentanoic acid
2.1.2 InChI
InChI=1S/C15H13F3N2O5/c16-15(17,18)9-6-13(23)25-11-5-7(1-2-8(9)11)20-14(24)10(19)3-4-12(21)22/h1-2,5-6,10H,3-4,19H2,(H,20,24)(H,21,22)
2.1.3 InChI Key
KGZJCDGDEWBTKI-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC2=C(C=C1NC(=O)C(CCC(=O)O)N)OC(=O)C=C2C(F)(F)F
2.2 Create Date
2009-08-08
3 Chemical and Physical Properties
Molecular Weight 358.27 g/mol
Molecular Formula C15H13F3N2O5
XLogP3-1.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass358.07765601 g/mol
Monoisotopic Mass358.07765601 g/mol
Topological Polar Surface Area119 Ų
Heavy Atom Count25
Formal Charge0
Complexity590
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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