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101772-43-4 | 1H-Imidazole-2-carboxamide, 4-[[2-[(aminoiminomethyl)amino]acetyl]amino]-N-[2-[[(3-amino-3-iminopropyl)amino]carbonyl]-1-methyl-1H-imidazol-4-yl]-1-methyl-, sulfate (1:1)
CAS No: 101772-43-4 Catalog No: AG0005GQ MDL No:
Product Description
Catalog Number:
AG0005GQ
Chemical Name:
1H-Imidazole-2-carboxamide, 4-[[2-[(aminoiminomethyl)amino]acetyl]amino]-N-[2-[[(3-amino-3-iminopropyl)amino]carbonyl]-1-methyl-1H-imidazol-4-yl]-1-methyl-, sulfate (1:1)
CAS Number:
101772-43-4
Molecular Formula:
C16H26N12O7S
Molecular Weight:
530.5188
IUPAC Name:
N-[2-[(3-amino-3-iminopropyl)carbamoyl]-1-methylimidazol-4-yl]-4-[[2-(diaminomethylideneamino)acetyl]amino]-1-methylimidazole-2-carboxamide;sulfuric acid
InChI:
InChI=1S/C16H24N12O3.H2O4S/c1-27-7-10(25-12(27)14(30)21-4-3-8(17)18)26-15(31)13-24-9(6-28(13)2)23-11(29)5-22-16(19)20;1-5(2,3)4/h6-7H,3-5H2,1-2H3,(H3,17,18)(H,21,30)(H,23,29)(H,26,31)(H4,19,20,22);(H2,1,2,3,4)
InChI Key:
QLAJYXVFIQUGDH-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.NN=CNCC(=O)Nc1nc(n(c1)C)C(=O)Nc1nc(n(c1)C)C(=O)NCCC(=N)N
Properties
Complexity:
806
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
530.177g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
9
Isotope Atom Count:
0
Molecular Weight:
530.521g/mol
Monoisotopic Mass:
530.177g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
320A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Structure-activity relationship of novel oligopeptide antiviral and antitumor agents related to netropsin and distamycin. | Journal of medicinal chemistry 19860701 |
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