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Home > Nitro Compounds > 122130-63-6
122130-63-6 | L-Proline, 1-[(2S)-2-methyl-3-(nitrosothio)-1-oxopropyl]-
CAS No: 122130-63-6 Catalog No: AG0016TJ MDL No:
Product Description
Catalog Number:
AG0016TJ
Chemical Name:
L-Proline, 1-[(2S)-2-methyl-3-(nitrosothio)-1-oxopropyl]-
CAS Number:
122130-63-6
Molecular Formula:
C9H14N2O4S
Molecular Weight:
246.2835
IUPAC Name:
(2S)-1-[(2S)-2-methyl-3-nitrososulfanylpropanoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C9H14N2O4S/c1-6(5-16-10-15)8(12)11-4-2-3-7(11)9(13)14/h6-7H,2-5H2,1H3,(H,13,14)/t6-,7+/m1/s1
InChI Key:
HNIULCDUASSKOM-RQJHMYQMSA-N
SMILES:
O=NSC[C@H](C(=O)N1CCC[C@H]1C(=O)O)C
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
246.067g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.281g/mol
Monoisotopic Mass:
246.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| S-nitrosocaptopril formation in aqueous acid and basic medium. A vasodilator and angiotensin converting enzyme inhibitor. | Organic & biomolecular chemistry 20111021 |
| IRMPD spectroscopy of protonated S-nitrosocaptopril, a biologically active, synthetic amino acid. | Physical chemistry chemical physics : PCCP 20101107 |
| Dynamic studies of transnitrosation of thiols of biological importance by the nitrosated 4,4',4'',4'''-tetrasulfophthalocyaninecobaltate(III) anion in aqueous solution. | Biophysical chemistry 20090501 |
| Dynamics of interaction of vitamin C with some potent nitrovasodilators, S-nitroso-N-acetyl-d,l-penicillamine (SNAP) and S-nitrosocaptopril (SNOCap), in aqueous solution. | Biophysical chemistry 20040201 |
| S-nitrosocaptopril: in vitro characterization of pulmonary vascular effects in rats. | British journal of pharmacology 20030301 |
| Incubation of porcine iris-ciliary bodies to study the mechanisms by which nitric oxide donors lower intraocular pressure. | Medical science monitor : international medical journal of experimental and clinical research 20030101 |
| Acute and subacute toxicity and efficacy of S-nitrosylated captopril, an ACE inhibitor possessing nitric oxide activities. | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20011201 |
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