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29746-12-1 | Glutamic acid, N-[m-[[(2,4-diamino-6-quinazolinyl)methyl]amino]benzoyl]-, L- (8CI)
CAS No: 29746-12-1 Catalog No: AG002ZA2 MDL No:
Product Description
Catalog Number:
AG002ZA2
Chemical Name:
Glutamic acid, N-[m-[[(2,4-diamino-6-quinazolinyl)methyl]amino]benzoyl]-, L- (8CI)
CAS Number:
29746-12-1
IUPAC Name:
(2S)-2-[[3-[(2,4-diaminoquinazolin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
InChI:
InChI=1S/C21H22N6O5/c22-18-14-8-11(4-5-15(14)26-21(23)27-18)10-24-13-3-1-2-12(9-13)19(30)25-16(20(31)32)6-7-17(28)29/h1-5,8-9,16,24H,6-7,10H2,(H,25,30)(H,28,29)(H,31,32)(H4,22,23,26,27)/t16-/m0/s1
InChI Key:
FXEBUGYKJKDGHV-INIZCTEOSA-N
Properties
Complexity:
679
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
438.165g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
438.444g/mol
Monoisotopic Mass:
438.165g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
194A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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