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Home > Nitro Compounds > 123774-73-2
123774-73-2 | L-Lysine, N2-[N-(2,4,6-trinitrophenyl)-D-α-glutamyl]- (9CI)
CAS No: 123774-73-2 Catalog No: AG000L2C MDL No:
Product Description
Catalog Number:
AG000L2C
Chemical Name:
L-Lysine, N2-[N-(2,4,6-trinitrophenyl)-D-α-glutamyl]- (9CI)
CAS Number:
123774-73-2
Molecular Formula:
C17H22N6O11
Molecular Weight:
486.3902
IUPAC Name:
(2S)-6-amino-2-[[(2R)-5-amino-2,3-dinitro-2-(N-nitroanilino)-5-oxopentanoyl]amino]hexanoic acid
InChI:
InChI=1S/C17H23N7O10/c18-9-5-4-8-12(15(26)27)20-16(28)17(23(31)32,13(22(29)30)10-14(19)25)21(24(33)34)11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,18H2,(H2,19,25)(H,20,28)(H,26,27)/t12-,13?,17+/m0/s1
InChI Key:
SPAPDPJFEKWXRV-GFMNRZNCSA-N
SMILES:
NCCCC[C@@H](C(=O)O)NC(=O)[C@H](Nc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])CCC(=O)O
Properties
Complexity:
787
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
485.151g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
485.41g/mol
Monoisotopic Mass:
485.151g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
276A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
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