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21027-72-5 | L-Phenylalaninamide, glycyl-N-(4-nitrophenyl)-
CAS No: 21027-72-5 Catalog No: AG002KO3 MDL No:MFCD00038182
Product Description
Catalog Number:
AG002KO3
Chemical Name:
L-Phenylalaninamide, glycyl-N-(4-nitrophenyl)-
CAS Number:
21027-72-5
Molecular Formula:
C17H18N4O4
Molecular Weight:
342.3492
MDL Number:
MFCD00038182
IUPAC Name:
(2S)-2-[(2-aminoacetyl)amino]-N-(4-nitrophenyl)-3-phenylpropanamide
InChI:
InChI=1S/C17H18N4O4/c18-11-16(22)20-15(10-12-4-2-1-3-5-12)17(23)19-13-6-8-14(9-7-13)21(24)25/h1-9,15H,10-11,18H2,(H,19,23)(H,20,22)/t15-/m0/s1
InChI Key:
KNDZCZRECXTRHP-HNNXBMFYSA-N
SMILES:
NCC(=O)N[C@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])Cc1ccccc1
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
342.133g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
342.355g/mol
Monoisotopic Mass:
342.133g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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