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89238-54-0 | L-Phenylalanine, N-[[4-[[4-(dimethylamino)phenyl]azo]phenyl]sulfonyl]-
CAS No: 89238-54-0 Catalog No: AG0044FO MDL No:
Product Description
Catalog Number:
AG0044FO
Chemical Name:
L-Phenylalanine, N-[[4-[[4-(dimethylamino)phenyl]azo]phenyl]sulfonyl]-
CAS Number:
89238-54-0
Molecular Formula:
C23H24N4O4S
Molecular Weight:
452.5261
IUPAC Name:
2-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylamino]-3-phenylpropanoic acid
InChI:
InChI=1S/C23H24N4O4S/c1-27(2)20-12-8-18(9-13-20)24-25-19-10-14-21(15-11-19)32(30,31)26-22(23(28)29)16-17-6-4-3-5-7-17/h3-15,22,26H,16H2,1-2H3,(H,28,29)
InChI Key:
IHGZNPNLAMBCBM-UHFFFAOYSA-N
SMILES:
CN(c1ccc(cc1)N=Nc1ccc(cc1)S(=O)(=O)N[C@H](C(=O)O)Cc1ccccc1)C
Properties
Complexity:
715
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.152g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
452.529g/mol
Monoisotopic Mass:
452.152g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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