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155522-12-6 | L-Alanine, N-[4-[2-(2-chloro-4-nitrophenyl)diazenyl]-3-[(1-oxopropyl)amino]phenyl]-, methyl ester
CAS No: 155522-12-6 Catalog No: AG001NZ9 MDL No:
Product Description
Catalog Number:
AG001NZ9
Chemical Name:
L-Alanine, N-[4-[2-(2-chloro-4-nitrophenyl)diazenyl]-3-[(1-oxopropyl)amino]phenyl]-, methyl ester
CAS Number:
155522-12-6
Molecular Formula:
C19H20ClN5O5
Molecular Weight:
433.8456
IUPAC Name:
methyl (2S)-2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-3-(propanoylamino)anilino]propanoate
InChI:
InChI=1S/C19H20ClN5O5/c1-4-18(26)22-17-9-12(21-11(2)19(27)30-3)5-7-16(17)24-23-15-8-6-13(25(28)29)10-14(15)20/h5-11,21H,4H2,1-3H3,(H,22,26)/t11-/m0/s1
InChI Key:
GGCPAZJYAXHGMU-NSHDSACASA-N
SMILES:
CCC(=O)Nc1cc(ccc1N=Nc1ccc(cc1Cl)[N+](=O)[O-])N[C@H](C(=O)OC)C
EC Number:
416-240-8
Properties
Complexity:
643
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
433.115g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
433.849g/mol
Monoisotopic Mass:
433.115g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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