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Home > Nitro Compounds > 182937-74-2
182937-74-2 | L-Argininamide, glycyl-L-valyl-N-(4-nitrophenyl)- (9CI)
CAS No: 182937-74-2 Catalog No: AG00249W MDL No:
Product Description
Catalog Number:
AG00249W
Chemical Name:
L-Argininamide, glycyl-L-valyl-N-(4-nitrophenyl)- (9CI)
CAS Number:
182937-74-2
Molecular Formula:
C19H30N8O5
Molecular Weight:
450.4921
IUPAC Name:
(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)-N-(4-nitrophenyl)pentanamide
InChI:
InChI=1S/C19H30N8O5/c1-11(2)16(26-15(28)10-20)18(30)25-14(4-3-9-23-19(21)22)17(29)24-12-5-7-13(8-6-12)27(31)32/h5-8,11,14,16H,3-4,9-10,20H2,1-2H3,(H,24,29)(H,25,30)(H,26,28)(H4,21,22,23)/t14-,16-/m0/s1
InChI Key:
HOAFDSRZXQSTJU-HOCLYGCPSA-N
SMILES:
NCC(=O)N[C@H](C(=O)N[C@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])CCCNC(=N)N)C(C)C
Properties
Complexity:
682
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
450.234g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
450.5g/mol
Monoisotopic Mass:
450.234g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
224A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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