N,N'-Diphthaloyl-L-cystine - CAS 29588-96-3
Catalog: |
BB063125 |
Product Name: |
N,N'-Diphthaloyl-L-cystine |
CAS: |
29588-96-3 |
Synonyms: |
(2R)-3-[[(2R)-2-carboxy-2-(1,3-dioxoisoindol-2-yl)ethyl]disulfanyl]-2-(1,3-dioxoisoindol-2-yl)propanoic acid |
IUPAC Name: | (2R)-3-[[(2R)-2-carboxy-2-(1,3-dioxoisoindol-2-yl)ethyl]disulfanyl]-2-(1,3-dioxoisoindol-2-yl)propanoic acid |
Molecular Weight: | 500.5 |
Molecular Formula: | C22H16N2O8S2 |
Canonical SMILES: | C1=CC=C2C(=C1)C(=O)N(C2=O)C(CSSCC(C(=O)O)N3C(=O)C4=CC=CC=C4C3=O)C(=O)O |
InChI: | InChI=1S/C22H16N2O8S2/c25-17-11-5-1-2-6-12(11)18(26)23(17)15(21(29)30)9-33-34-10-16(22(31)32)24-19(27)13-7-3-4-8-14(13)20(24)28/h1-8,15-16H,9-10H2,(H,29,30)(H,31,32)/t15-,16-/m0/s1 |
InChI Key: | GUQBSPYSVBNDBP-HOTGVXAUSA-N |
Complexity: | 791 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 500.03480782 |
Formal Charge: | 0 |
Heavy Atom Count: | 34 |
Hydrogen Bond Acceptor Count: | 10 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 500.03480782 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 200Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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