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Home > Nitro Compounds > 188806-53-3
188806-53-3 | Glycinamide, N-acetyl-L-leucyl-N-(4-nitrophenyl)- (9CI)
CAS No: 188806-53-3 Catalog No: AG002HCM MDL No:
Product Description
Catalog Number:
AG002HCM
Chemical Name:
Glycinamide, N-acetyl-L-leucyl-N-(4-nitrophenyl)- (9CI)
CAS Number:
188806-53-3
Molecular Formula:
C16H22N4O5
Molecular Weight:
350.3697
IUPAC Name:
(2S)-2-acetamido-4-methyl-N-[2-(4-nitroanilino)-2-oxoethyl]pentanamide
InChI:
InChI=1S/C16H22N4O5/c1-10(2)8-14(18-11(3)21)16(23)17-9-15(22)19-12-4-6-13(7-5-12)20(24)25/h4-7,10,14H,8-9H2,1-3H3,(H,17,23)(H,18,21)(H,19,22)/t14-/m0/s1
InChI Key:
VANZNNUWIPKKKG-AWEZNQCLSA-N
SMILES:
CC(C[C@@H](C(=O)NCC(=O)Nc1ccc(cc1)[N+](=O)[O-])NC(=O)C)C
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
350.159g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
350.375g/mol
Monoisotopic Mass:
350.159g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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