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Home > Nitro Compounds > 115846-24-7
115846-24-7 | L-Alaninamide, L-lysyl-N-(4-nitrophenyl)- (9CI)
CAS No: 115846-24-7 Catalog No: AG000GY5 MDL No:
Product Description
Catalog Number:
AG000GY5
Chemical Name:
L-Alaninamide, L-lysyl-N-(4-nitrophenyl)- (9CI)
CAS Number:
115846-24-7
Molecular Formula:
C15H23N5O4
Molecular Weight:
337.3742
IUPAC Name:
(2S)-2,6-diamino-N-[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]hexanamide
InChI:
InChI=1S/C15H23N5O4/c1-10(18-15(22)13(17)4-2-3-9-16)14(21)19-11-5-7-12(8-6-11)20(23)24/h5-8,10,13H,2-4,9,16-17H2,1H3,(H,18,22)(H,19,21)/t10-,13-/m0/s1
InChI Key:
WKTQIBKMCKFCJE-GWCFXTLKSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])C)N
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
337.175g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
337.38g/mol
Monoisotopic Mass:
337.175g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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