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Home > Quinoline > 808118-93-6
808118-93-6 | Glycine, N-[[4-hydroxy-7-(phenylsulfonyl)-3-isoquinolinyl]carbonyl]-
CAS No: 808118-93-6 Catalog No: AG005IPM MDL No:
Product Description
Catalog Number:
AG005IPM
Chemical Name:
Glycine, N-[[4-hydroxy-7-(phenylsulfonyl)-3-isoquinolinyl]carbonyl]-
CAS Number:
808118-93-6
Molecular Formula:
C18H14N2O6S
Molecular Weight:
386.3786
IUPAC Name:
2-[[7-(benzenesulfonyl)-4-hydroxyisoquinoline-3-carbonyl]amino]acetic acid
InChI:
InChI=1S/C18H14N2O6S/c21-15(22)10-20-18(24)16-17(23)14-7-6-13(8-11(14)9-19-16)27(25,26)12-4-2-1-3-5-12/h1-9,23H,10H2,(H,20,24)(H,21,22)
InChI Key:
ZDNBMABHRMYIGL-UHFFFAOYSA-N
SMILES:
OC(=O)CNC(=O)c1ncc2c(c1O)ccc(c2)S(=O)(=O)c1ccccc1
Properties
Complexity:
655
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.057g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
386.378g/mol
Monoisotopic Mass:
386.057g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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