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Home > Nitro Compounds > 114138-91-9
114138-91-9 | L-Argininamide, L-valyl-N-(4-nitrophenyl)- (9CI)
CAS No: 114138-91-9 Catalog No: AG000AO0 MDL No:
Product Description
Catalog Number:
AG000AO0
Chemical Name:
L-Argininamide, L-valyl-N-(4-nitrophenyl)- (9CI)
CAS Number:
114138-91-9
Molecular Formula:
C17H27N7O4
Molecular Weight:
393.4408
IUPAC Name:
2-[(2-amino-3-methylbutanoyl)amino]-5-(diaminomethylideneamino)-N-(4-nitrophenyl)pentanamide
InChI:
InChI=1S/C17H27N7O4/c1-10(2)14(18)16(26)23-13(4-3-9-21-17(19)20)15(25)22-11-5-7-12(8-6-11)24(27)28/h5-8,10,13-14H,3-4,9,18H2,1-2H3,(H,22,25)(H,23,26)(H4,19,20,21)
InChI Key:
LOKRTBJCKIPDRI-UHFFFAOYSA-N
SMILES:
N[C@H](C(=O)N[C@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])CCCNC(=N)N)C(C)C
Properties
Complexity:
564
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.212g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
393.448g/mol
Monoisotopic Mass:
393.212g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
194A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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