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824981-74-0 | D-Tryptophan, N-[[4'-(tributylstannyl)[1,1'-biphenyl]-4-yl]sulfonyl]-
CAS No: 824981-74-0 Catalog No: AG004UPM MDL No:
Product Description
Catalog Number:
AG004UPM
Chemical Name:
D-Tryptophan, N-[[4'-(tributylstannyl)[1,1'-biphenyl]-4-yl]sulfonyl]-
CAS Number:
824981-74-0
Molecular Formula:
C35H46N2O4SSn
Molecular Weight:
709.5167
IUPAC Name:
(2R)-3-(1H-indol-3-yl)-2-[[4-(4-tributylstannylphenyl)phenyl]sulfonylamino]propanoic acid
InChI:
InChI=1S/C23H19N2O4S.3C4H9.Sn/c26-23(27)22(14-18-15-24-21-9-5-4-8-20(18)21)25-30(28,29)19-12-10-17(11-13-19)16-6-2-1-3-7-16;3*1-3-4-2;/h2-13,15,22,24-25H,14H2,(H,26,27);3*1,3-4H2,2H3;/t22-;;;;/m1..../s1
InChI Key:
DANUHZBSMIEXTF-VTTXPQSASA-N
SMILES:
CCCC[Sn](c1ccc(cc1)c1ccc(cc1)S(=O)(=O)N[C@@H](C(=O)O)Cc1c[nH]c2c1cccc2)(CCCC)CCCC
Properties
Complexity:
918
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
710.22g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
709.533g/mol
Monoisotopic Mass:
710.22g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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