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143873-72-7 | D-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-
CAS No: 143873-72-7 Catalog No: AG001IIW MDL No:
Product Description
Catalog Number:
AG001IIW
Chemical Name:
D-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-
CAS Number:
143873-72-7
Molecular Formula:
C19H20N8O5
Molecular Weight:
440.4127
IUPAC Name:
2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
InChI:
InChI=1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27)
InChI Key:
TVZGACDUOSZQKY-UHFFFAOYSA-N
SMILES:
OC(=O)CC[C@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(N)nc(n2)N
EC Number:
200-209-9
Properties
Complexity:
674
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.156g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
440.42g/mol
Monoisotopic Mass:
440.156g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
219A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
Literature
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