N-Acetyl-S-(2-carboxyethyl)-L-cysteine Bis(dicyclohexylamine) Salt - CAS 201666-27-5
Catalog: |
BB075516 |
Product Name: |
N-Acetyl-S-(2-carboxyethyl)-L-cysteine Bis(dicyclohexylamine) Salt |
CAS: |
201666-27-5 |
Synonyms: |
N-Acetyl-3-(2-carboxyethylthio)alanine Bis(dicyclohexylamine) Salt; 3-(N-Acetyl-L-cystein-S-yl)propanoic Acid Bisdicyclohexylamine) Salt; N-Acetyl-S-(2-carboxyethyl)cysteine Bis(dicyclohexylamine) Salt |
IUPAC Name: | (2R)-2-acetamido-3-(2-carboxyethylsulfanyl)propanoic acidN-cyclohexylcyclohexanamine |
Description: | A metabolite of S-propylcysteine. |
Molecular Weight: | 597.9 |
Molecular Formula: | C32H59N3O5S |
Canonical SMILES: | CC(=O)NC(CSCCC(=O)O)C(=O)O.C1CCC(CC1)NC2CCCCC2.C1CCC(CC1)NC2CCCCC2 |
InChI: | InChI=1S/2C12H23N.C8H13NO5S/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-121-5(10)9-6(8(13)14)4-15-3-2-7(11)12/h2*11-13H,1-10H26H,2-4H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t6-/m..0/s1 |
InChI Key: | AOBVWIWUTOTQQN-ROQLHKJUSA-N |
Melting Point: | >175°C (dec.) |
Solubility: | Methanol (Slightly), Water (Slightly) |
Appearance: | White Solid |
Storage: | 4°C |
References: | Jones, A.R., et al.:. |
Complexity: | 372 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 597.41754316 |
Formal Charge: | 0 |
Heavy Atom Count: | 41 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 5 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 597.41754316 |
Rotatable Bond Count: | 11 |
Topological Polar Surface Area: | 153Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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