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Home > Nitro Compounds > 88412-26-4
88412-26-4 | L-Alaninamide, 4-nitro-L-phenylalanyl-L-alanyl-
CAS No: 88412-26-4 Catalog No: AG004HZI MDL No:
Product Description
Catalog Number:
AG004HZI
Chemical Name:
L-Alaninamide, 4-nitro-L-phenylalanyl-L-alanyl-
CAS Number:
88412-26-4
Molecular Formula:
C15H21N5O5
Molecular Weight:
351.3577
IUPAC Name:
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-(4-nitrophenyl)propanamide
InChI:
InChI=1S/C15H21N5O5/c1-8(13(17)21)18-14(22)9(2)19-15(23)12(16)7-10-3-5-11(6-4-10)20(24)25/h3-6,8-9,12H,7,16H2,1-2H3,(H2,17,21)(H,18,22)(H,19,23)/t8-,9-,12-/m0/s1
InChI Key:
UDYYQQXLZJCKQU-AUTRQRHGSA-N
SMILES:
O=C([C@H](Cc1ccc(cc1)[N+](=O)[O-])N)N[C@H](C(=O)N[C@H](C(=O)N)C)C
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
351.154g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
351.363g/mol
Monoisotopic Mass:
351.154g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
173A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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