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83626-72-6 | L-Cystine, N,N-bis[(4-aminophenyl)sulfonyl]-
CAS No: 83626-72-6 Catalog No: AG004TSO MDL No:
Product Description
Catalog Number:
AG004TSO
Chemical Name:
L-Cystine, N,N-bis[(4-aminophenyl)sulfonyl]-
CAS Number:
83626-72-6
Molecular Formula:
C18H22N4O8S4
Molecular Weight:
550.6493
IUPAC Name:
(2R)-2-[(4-aminophenyl)sulfonylamino]-3-[[(2R)-2-[(4-aminophenyl)sulfonylamino]-2-carboxyethyl]disulfanyl]propanoic acid
InChI:
InChI=1S/C18H22N4O8S4/c19-11-1-5-13(6-2-11)33(27,28)21-15(17(23)24)9-31-32-10-16(18(25)26)22-34(29,30)14-7-3-12(20)4-8-14/h1-8,15-16,21-22H,9-10,19-20H2,(H,23,24)(H,25,26)/t15-,16-/m0/s1
InChI Key:
FIPMCOYOJDSDBZ-HOTGVXAUSA-N
SMILES:
N[C@H](C(=O)O)CSSC[C@H](N(S(=O)(=O)c1ccc(cc1)N)S(=O)(=O)c1ccc(cc1)N)C(=O)O
Properties
Complexity:
816
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
550.032g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
550.634g/mol
Monoisotopic Mass:
550.032g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
286A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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