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Home > Nitro Compounds > 90057-96-8
90057-96-8 | L-Leucine, N-[N-(1-nitro-9-acridinyl)glycyl]-
CAS No: 90057-96-8 Catalog No: AG00H8TL MDL No:
Product Description
Catalog Number:
AG00H8TL
Chemical Name:
L-Leucine, N-[N-(1-nitro-9-acridinyl)glycyl]-
CAS Number:
90057-96-8
Molecular Formula:
C21H22N4O5
Molecular Weight:
410.4232
IUPAC Name:
(2S)-4-methyl-2-[[2-[(1-nitroacridin-9-yl)amino]acetyl]amino]pentanoic acid
InChI:
InChI=1S/C21H22N4O5/c1-12(2)10-16(21(27)28)24-18(26)11-22-20-13-6-3-4-7-14(13)23-15-8-5-9-17(19(15)20)25(29)30/h3-9,12,16H,10-11H2,1-2H3,(H,22,23)(H,24,26)(H,27,28)/t16-/m0/s1
InChI Key:
SQJGBNCHYSTCJK-INIZCTEOSA-N
SMILES:
CC(C[C@@H](C(=O)O)NC(=O)CNc1c2ccccc2nc2c1c(ccc2)[N+](=O)[O-])C
Properties
Complexity:
637
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
410.159g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
410.43g/mol
Monoisotopic Mass:
410.159g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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