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Home > Nitro Compounds > 88412-27-5
88412-27-5 | L-Alaninamide, N-formyl-4-nitro-L-phenylalanyl-L-alanyl-
CAS No: 88412-27-5 Catalog No: AG004HZH MDL No:
Product Description
Catalog Number:
AG004HZH
Chemical Name:
L-Alaninamide, N-formyl-4-nitro-L-phenylalanyl-L-alanyl-
CAS Number:
88412-27-5
Molecular Formula:
C16H21N5O6
Molecular Weight:
379.3678
IUPAC Name:
N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]-2-formamido-3-(4-nitrophenyl)propanamide
InChI:
InChI=1S/C16H21N5O6/c1-9(14(17)23)19-15(24)10(2)20-16(25)13(18-8-22)7-11-3-5-12(6-4-11)21(26)27/h3-6,8-10,13H,7H2,1-2H3,(H2,17,23)(H,18,22)(H,19,24)(H,20,25)
InChI Key:
LKALJBRJRNNNIX-UHFFFAOYSA-N
SMILES:
O=CN[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)C)C)Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
570
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.149g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
379.373g/mol
Monoisotopic Mass:
379.149g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
176A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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