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Home > Nitro Compounds > 74589-09-6
74589-09-6 | L-Phenylalaninamide, glycyl-L-leucyl-N-(4-nitrophenyl)-
CAS No: 74589-09-6 Catalog No: AG005AN4 MDL No:
Product Description
Catalog Number:
AG005AN4
Chemical Name:
L-Phenylalaninamide, glycyl-L-leucyl-N-(4-nitrophenyl)-
CAS Number:
74589-09-6
Molecular Formula:
C23H29N5O5
Molecular Weight:
455.5069
IUPAC Name:
(2S)-2-[(2-aminoacetyl)amino]-4-methyl-N-[(2S)-1-(4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]pentanamide
InChI:
InChI=1S/C23H29N5O5/c1-15(2)12-19(26-21(29)14-24)23(31)27-20(13-16-6-4-3-5-7-16)22(30)25-17-8-10-18(11-9-17)28(32)33/h3-11,15,19-20H,12-14,24H2,1-2H3,(H,25,30)(H,26,29)(H,27,31)/t19-,20-/m0/s1
InChI Key:
OLPLTOHPKOKRGA-PMACEKPBSA-N
SMILES:
NCC(=O)N[C@H](C(=O)N[C@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])Cc1ccccc1)CC(C)C
Properties
Complexity:
667
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
455.217g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
455.515g/mol
Monoisotopic Mass:
455.217g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
159A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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