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113900-52-0 | L-Glutamic acid, N-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzoyl]-
CAS No: 113900-52-0 Catalog No: AG000A20 MDL No:
Product Description
Catalog Number:
AG000A20
Chemical Name:
L-Glutamic acid, N-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzoyl]-
CAS Number:
113900-52-0
Molecular Formula:
C15H13Cl2N5O5
Molecular Weight:
414.2002
IUPAC Name:
2-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzoyl]amino]pentanedioic acid
InChI:
InChI=1S/C15H13Cl2N5O5/c16-13-20-14(17)22-15(21-13)18-8-3-1-7(2-4-8)11(25)19-9(12(26)27)5-6-10(23)24/h1-4,9H,5-6H2,(H,19,25)(H,23,24)(H,26,27)(H,18,20,21,22)
InChI Key:
ABPALSGKEZBZOZ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Nc1nc(Cl)nc(n1)Cl)N[C@H](C(=O)O)CCC(=O)O
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.029g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
414.199g/mol
Monoisotopic Mass:
413.029g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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