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Home > Nitro Compounds > 23067-16-5
23067-16-5 | L-Cystine, N,N'-bis(2,4-dinitrophenyl)-
CAS No: 23067-16-5 Catalog No: AG002M40 MDL No:
Product Description
Catalog Number:
AG002M40
Chemical Name:
L-Cystine, N,N'-bis(2,4-dinitrophenyl)-
CAS Number:
23067-16-5
Molecular Formula:
C18H16N6O12S2
Molecular Weight:
572.4826
IUPAC Name:
(2R)-3-[[(2R)-2-carboxy-2-(2,4-dinitroanilino)ethyl]disulfanyl]-2-(2,4-dinitroanilino)propanoic acid
InChI:
InChI=1S/C18H16N6O12S2/c25-17(26)13(19-11-3-1-9(21(29)30)5-15(11)23(33)34)7-37-38-8-14(18(27)28)20-12-4-2-10(22(31)32)6-16(12)24(35)36/h1-6,13-14,19-20H,7-8H2,(H,25,26)(H,27,28)/t13-,14-/m0/s1
InChI Key:
UMGXLEJJKAWCHT-KBPBESRZSA-N
SMILES:
OC(=O)[C@@H](Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CSSC[C@@H](C(=O)O)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
EC Number:
245-408-1
NSC Number:
677474
Properties
Complexity:
834
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
572.027g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
572.476g/mol
Monoisotopic Mass:
572.027g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
333A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Potent inhibitors of human immunodeficiency virus type 1 integrase: identification of a novel four-point pharmacophore and tetracyclines as novel inhibitors. | Molecular pharmacology 19971201 |
| Depsides and depsidones as inhibitors of HIV-1 integrase: discovery of novel inhibitors through 3D database searching. | Journal of medicinal chemistry 19970314 |
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