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119945-56-1 | Tyrosine, N-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-
CAS No: 119945-56-1 Catalog No: AG000PW9 MDL No:
Product Description
Catalog Number:
AG000PW9
Chemical Name:
Tyrosine, N-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-
CAS Number:
119945-56-1
Molecular Formula:
C21H22N2O5S
Molecular Weight:
414.4748
IUPAC Name:
2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-(4-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C21H22N2O5S/c1-23(2)19-7-3-6-17-16(19)5-4-8-20(17)29(27,28)22-18(21(25)26)13-14-9-11-15(24)12-10-14/h3-12,18,22,24H,13H2,1-2H3,(H,25,26)
InChI Key:
JPGUWJLXQOQWNI-UHFFFAOYSA-N
SMILES:
OC(=O)[C@@H](NS(=O)(=O)c1cccc2c1cccc2N(C)C)Cc1ccc(cc1)O
Properties
Complexity:
655
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.125g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
414.476g/mol
Monoisotopic Mass:
414.125g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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