200,000+ products from a single source!
sales@angenechem.com
122712-57-6 | L-Glutamic acid, N-[4-(6-amino-3-oxo-1,2,4-benzotriazin-2(3H)-yl)benzoyl]-
CAS No: 122712-57-6 Catalog No: AG000J0U MDL No:
Product Description
Catalog Number:
AG000J0U
Chemical Name:
L-Glutamic acid, N-[4-(6-amino-3-oxo-1,2,4-benzotriazin-2(3H)-yl)benzoyl]-
CAS Number:
122712-57-6
Molecular Formula:
C19H17N5O6
Molecular Weight:
411.3682
IUPAC Name:
(2S)-2-[[4-(6-amino-3-oxo-1,2,4-benzotriazin-2-yl)benzoyl]amino]pentanedioic acid
InChI:
InChI=1S/C19H17N5O6/c20-11-3-6-13-15(9-11)22-19(30)24(23-13)12-4-1-10(2-5-12)17(27)21-14(18(28)29)7-8-16(25)26/h1-6,9,14H,7-8,20H2,(H,21,27)(H,25,26)(H,28,29)/t14-/m0/s1
InChI Key:
DWTGBHWQSDBXRT-AWEZNQCLSA-N
SMILES:
OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)n1nc2ccc(cc2nc1=O)N
Properties
Complexity:
882
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
411.118g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
411.374g/mol
Monoisotopic Mass:
411.118g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
175A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.